benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene

C314H182 — CID 161194758

IUPACbenzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
SMILESc1ccc(-c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2ccc3c5ccc6c7c(ccc(c8ccc-4c2c83)c75)-c2c-6c(-c3ccccc3)c3cc(-c4ccccc4)ccc3c2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c48)c75)-c2c-6c(-c3ccccc3)c3ccccc3c2-c2ccccc2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c48)c75)-c2c-6c(-c3ccccc3-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.c1ccc2cc(-c3c4c(c(-c5ccc6ccccc6c5)c5ccccc35)-c3ccc5c6ccc7c8c(ccc(c9ccc-4c3c95)c86)-c3c-7c(-c4ccc5ccccc5c4)c4ccccc4c3-c3ccc4ccccc4c3)ccc2c1.c1ccccc1
InChIInChI=1S/C80H44.3C76H44.C6H6/c1-5-17-49-41-53(29-25-45(49)13-1)69-57-21-9-10-22-58(57)70(54-30-26-46-14-2-6-18-50(46)42-54)78-66-38-34-62-64-36-40-68-76-67(39-35-63(74(64)76)61-33-37-65(77(69)78)75(66)73(61)62)79-71(55-31-27-47-15-3-7-19-51(47)43-55)59-23-11-12-24-60(59)72(80(68)79)56-32-28-48-16-4-8-20-52(48)44-56;1-7-19-45(20-8-1)51-31-33-57-63(43-51)67(49-27-15-5-16-28-49)75-61-41-37-55-56-38-42-62-72-60(40-36-54(70(56)72)53-35-39-59(71(61)69(53)55)73(75)65(57)47-23-11-3-12-24-47)74-66(48-25-13-4-14-26-48)58-34-32-52(46-21-9-2-10-22-46)44-64(58)68(76(62)74)50-29-17-6-18-30-50;1-5-21-45(22-6-1)49-29-13-15-31-51(49)69-55-35-19-17-33-53(55)65(47-25-9-3-10-26-47)73-61-41-37-57-60-40-44-64-72-62(42-38-58(68(60)72)59-39-43-63(75(69)73)71(61)67(57)59)74-66(48-27-11-4-12-28-48)54-34-18-20-36-56(54)70(76(64)74)52-32-16-14-30-50(52)46-23-7-2-8-24-46;1-5-21-45(22-6-1)49-29-13-15-31-51(49)69-55-35-19-17-33-53(55)65(47-25-9-3-10-26-47)73-61-41-37-57-58-38-42-62-72-64(44-40-60(68(58)72)59-39-43-63(75(69)73)71(61)67(57)59)76-70(52-32-16-14-30-50(52)46-23-7-2-8-24-46)56-36-20-18-34-54(56)66(74(62)76)48-27-11-4-12-28-48;1-2-4-6-5-3-1/h1-44H;3*1-44H;1-6H
InChIKeyUUESVYQRYDMFCM-UHFFFAOYSA-N
MW3954.91 g/mol
LogP88.33
Rot. Bonds22

About benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene

benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene (PubChem CID 161194758) has the molecular formula C314H182 and a molecular weight of 3954.91 g/mol. Its IUPAC name is benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene.

Molecular Properties

Compound Namebenzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
PubChem CID161194758
Molecular FormulaC314H182
Molecular Weight3954.91 g/mol
Exact Mass3951.42
IUPAC Namebenzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
SMILESc1ccc(-c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2ccc3c5ccc6c7c(ccc(c8ccc-4c2c83)c75)-c2c-6c(-c3ccccc3)c3cc(-c4ccccc4)ccc3c2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c48)c75)-c2c-6c(-c3ccccc3)c3ccccc3c2-c2ccccc2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c48)c75)-c2c-6c(-c3ccccc3-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.c1ccc2cc(-c3c4c(c(-c5ccc6ccccc6c5)c5ccccc35)-c3ccc5c6ccc7c8c(ccc(c9ccc-4c3c95)c86)-c3c-7c(-c4ccc5ccccc5c4)c4ccccc4c3-c3ccc4ccccc4c3)ccc2c1.c1ccccc1
InChIInChI=1S/C80H44.3C76H44.C6H6/c1-5-17-49-41-53(29-25-45(49)13-1)69-57-21-9-10-22-58(57)70(54-30-26-46-14-2-6-18-50(46)42-54)78-66-38-34-62-64-36-40-68-76-67(39-35-63(74(64)76)61-33-37-65(77(69)78)75(66)73(61)62)79-71(55-31-27-47-15-3-7-19-51(47)43-55)59-23-11-12-24-60(59)72(80(68)79)56-32-28-48-16-4-8-20-52(48)44-56;1-7-19-45(20-8-1)51-31-33-57-63(43-51)67(49-27-15-5-16-28-49)75-61-41-37-55-56-38-42-62-72-60(40-36-54(70(56)72)53-35-39-59(71(61)69(53)55)73(75)65(57)47-23-11-3-12-24-47)74-66(48-25-13-4-14-26-48)58-34-32-52(46-21-9-2-10-22-46)44-64(58)68(76(62)74)50-29-17-6-18-30-50;1-5-21-45(22-6-1)49-29-13-15-31-51(49)69-55-35-19-17-33-53(55)65(47-25-9-3-10-26-47)73-61-41-37-57-60-40-44-64-72-62(42-38-58(68(60)72)59-39-43-63(75(69)73)71(61)67(57)59)74-66(48-27-11-4-12-28-48)54-34-18-20-36-56(54)70(76(64)74)52-32-16-14-30-50(52)46-23-7-2-8-24-46;1-5-21-45(22-6-1)49-29-13-15-31-51(49)69-55-35-19-17-33-53(55)65(47-25-9-3-10-26-47)73-61-41-37-57-58-38-42-62-72-64(44-40-60(68(58)72)59-39-43-63(75(69)73)71(61)67(57)59)76-70(52-32-16-14-30-50(52)46-23-7-2-8-24-46)56-36-20-18-34-54(56)66(74(62)76)48-27-11-4-12-28-48;1-2-4-6-5-3-1/h1-44H;3*1-44H;1-6H
InChIKeyUUESVYQRYDMFCM-UHFFFAOYSA-N
XLogP88.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms314
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003954.91
LogP ≤ 588.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene with MolForge

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Related Compounds

7,10,14,25,28,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20,22,24,26(31),27,29,32,34(38),35-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-yl-10,11,28,29-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
CID 160833815
7,36-diphenyl-14,25-bis(2-phenylphenyl)dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38(42),39,43-docosaene
CID 59642874
7,25-bis(2-methylphenyl)-14,32-dinaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,32-bis(2-methylphenyl)-14,25-dinaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene;7,25-dinaphthalen-2-yl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-dinaphthalen-2-yl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene
CID 159627390
7,25-bis(2-phenylphenyl)-14,32-bis(4-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,32-bis(2-phenylphenyl)-14,25-bis(4-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene
CID 158269561
3,10-bis(2-phenylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3,10-bis(3-phenylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3-(2-methylphenyl)-10-naphthalen-1-yloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene;3-(2-methylphenyl)-10-naphthalen-2-yloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene;3-naphthalen-1-yl-10-phenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene;3-naphthalen-2-yl-10-phenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(27),2,4,6,8,10,12(28),13,15(29),16,18,20(30),21,23,25-pentadecaene
CID 160845252
3,10-dinaphthalen-2-yl-6,7-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene
CID 59642479
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
3,6,10,17,20,24-hexakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene
CID 140722752
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 162198422
7,27-diphenyl-14,34-bis(2-phenylphenyl)dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(40),2,4,6,8,10,12,14,16,18,20(41),21,23(42),24,26,28,30,32,34,36,38,43-docosaene;7,34-diphenyl-14,27-bis(2-phenylphenyl)dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38(42),39,43-docosaene;9,31-diphenyl-16,38-bis(2-phenylphenyl)tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2,4,6,8,10,12,14,16,18,20,22,24(45),25,27(46),28,30,32,34,36,38,40,42,47-tetracosaene;9,38-diphenyl-16,31-bis(2-phenylphenyl)tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(45),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42(46),43,47-tetracosaene
CID 159661880

Frequently Asked Questions

What is the IUPAC name of benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene?
The IUPAC name of benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene (CID 161194758) is benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene.
What is the SMILES notation for benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene?
The canonical SMILES for benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene is c1ccc(-c2ccc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3c2)-c2ccc3c5ccc6c7c(ccc(c8ccc-4c2c83)c75)-c2c-6c(-c3ccccc3)c3cc(-c4ccccc4)ccc3c2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c48)c75)-c2c-6c(-c3ccccc3)c3ccccc3c2-c2ccccc2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc4c5ccc6c7c(ccc(c8ccc-3c2c48)c75)-c2c-6c(-c3ccccc3-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.c1ccc2cc(-c3c4c(c(-c5ccc6ccccc6c5)c5ccccc35)-c3ccc5c6ccc7c8c(ccc(c9ccc-4c3c95)c86)-c3c-7c(-c4ccc5ccccc5c4)c4ccccc4c3-c3ccc4ccccc4c3)ccc2c1.c1ccccc1.
What is the InChIKey of benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene?
The InChIKey is UUESVYQRYDMFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H44.3C76H44.C6H6/c1-5-17-49-41-53(29-25-45(49)13-1)69-57-21-9-10-22-58(57)70(54-30-26-46-14-2-6-18-50(46)42-54)78-66-38-34-62-64-36-40-68-76-67(39-35-63(74(64)76)61-33-37-65(77(69)78)75(66)73(61)62)79-71(55-31-27-47-15-3-7-19-51(47)43-55)59-23-11-12-24-60(59)72(80(68)79)56-32-28-48-16-4-8-20-52(48)44-56;1-7-19-45(20-8-1)51-31-33-57-63(43-51)67(49-27-15-5-16-28-49)75-61-41-37-55-56-38-42-62-72-60(40-36-54(70(56)72)53-35-39-59(71(61)69(53)55)73(75)65(57)47-23-11-3-12-24-47)74-66(48-25-13-4-14-26-48)58-34-32-52(46-21-9-2-10-22-46)44-64(58)68(76(62)74)50-29-17-6-18-30-50;1-5-21-45(22-6-1)49-29-13-15-31-51(49)69-55-35-19-17-33-53(55)65(47-25-9-3-10-26-47)73-61-41-37-57-60-40-44-64-72-62(42-38-58(68(60)72)59-39-43-63(75(69)73)71(61)67(57)59)74-66(48-27-11-4-12-28-48)54-34-18-20-36-56(54)70(76(64)74)52-32-16-14-30-50(52)46-23-7-2-8-24-46;1-5-21-45(22-6-1)49-29-13-15-31-51(49)69-55-35-19-17-33-53(55)65(47-25-9-3-10-26-47)73-61-41-37-57-58-38-42-62-72-64(44-40-60(68(58)72)59-39-43-63(75(69)73)71(61)67(57)59)76-70(52-32-16-14-30-50(52)46-23-7-2-8-24-46)56-36-20-18-34-54(56)66(74(62)76)48-27-11-4-12-28-48;1-2-4-6-5-3-1/h1-44H;3*1-44H;1-6H.
What are the key properties of benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene?
benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene has a molecular weight of 3954.91 g/mol, XLogP of 88.33, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;7,25-diphenyl-14,32-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,14,16,18,20(37),21,23(38),24,26,28,30,32,34,39-icosaene;7,32-diphenyl-14,25-bis(2-phenylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene;7,10,14,25,29,32-hexakis-phenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8(13),9,11,14,17,20(37),21,23(38),24,26(31),27,29,32,34-icosaene;7,14,25,32-tetranaphthalen-2-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene is sourced from PubChem (CID 161194758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).