2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene

C294H255B3S3Si3 — CID 159082106

IUPAC2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene
SMILESCC12CCCCC1(C)[Si](c1ccccc1)(c1ccccc1)c1ccc(-c3ccc4c5c(-c6ccccc6)c6c7ccc(-c8ccc9c(c8)C8(C)CCCCC8(C)[Si]9(c8ccccc8)c8ccccc8)c8c(-c9ccc%10c(c9)C9(C)CCCCC9(C)[Si]%10(c9ccccc9)c9ccccc9)ccc(c6c(-c6ccccc6)c5c5cccc3c54)c87)cc12.CC12CCCCC1(C)c1cc(-c3ccc4c5c(-c6ccccc6)c6c7ccc(-c8ccc9c(c8)C8(C)CCCCC8(C)B9c8ccccc8)c8c(-c9ccc%10c(c9)C9(C)CCCCC9(C)B%10c9ccccc9)ccc(c6c(-c6ccccc6)c5c5cccc3c54)c87)ccc1B2c1ccccc1.CC12CCCCC1(C)c1cc(-c3ccc4c5c(-c6ccccc6)c6c7ccc(-c8ccc9c(c8)C8(C)CCCCC8(C)S9)c8c(-c9ccc%10c(c9)C9(C)CCCCC9(C)S%10)ccc(c6c(-c6ccccc6)c5c5cccc3c54)c87)ccc1S2
InChIInChI=1S/C116H100Si3.C98H85B3.C80H70S3/c1-111-68-31-34-71-114(111,4)117(82-42-19-9-20-43-82,83-44-21-10-22-45-83)99-65-56-79(74-96(99)111)88-59-62-93-104-91(88)54-37-55-92(104)107-102(77-38-15-7-16-39-77)109-94-63-60-89(80-57-66-100-97(75-80)112(2)69-32-35-72-115(112,5)118(100,84-46-23-11-24-47-84)85-48-25-12-26-49-85)105-90(61-64-95(106(94)105)110(109)103(108(93)107)78-40-17-8-18-41-78)81-58-67-101-98(76-81)113(3)70-33-36-73-116(113,6)119(101,86-50-27-13-28-51-86)87-52-29-14-30-53-87;1-93-53-22-25-56-96(93,4)99(67-33-16-9-17-34-67)81-50-41-64(59-78(81)93)70-44-47-75-86-73(70)39-28-40-74(86)89-84(62-29-12-7-13-30-62)91-76-48-45-71(65-42-51-82-79(60-65)94(2)54-23-26-57-97(94,5)100(82)68-35-18-10-19-36-68)87-72(46-49-77(88(76)87)92(91)85(90(75)89)63-31-14-8-15-32-63)66-43-52-83-80(61-66)95(3)55-24-27-58-98(95,6)101(83)69-37-20-11-21-38-69;1-75-38-13-16-41-78(75,4)81-63-35-26-49(44-60(63)75)52-29-32-57-68-55(52)24-19-25-56(68)71-66(47-20-9-7-10-21-47)73-58-33-30-53(50-27-36-64-61(45-50)76(2)39-14-17-42-79(76,5)82-64)69-54(51-28-37-65-62(46-51)77(3)40-15-18-43-80(77,6)83-65)31-34-59(70(58)69)74(73)67(72(57)71)48-22-11-8-12-23-48/h7-30,37-67,74-76H,31-36,68-73H2,1-6H3;7-21,28-52,59-61H,22-27,53-58H2,1-6H3;7-12,19-37,44-46H,13-18,38-43H2,1-6H3
InChIKeyKAZHRDAAPJCMCD-UHFFFAOYSA-N
MW4001.17 g/mol
LogP71.41
Rot. Bonds24

About 2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene

2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene (PubChem CID 159082106) has the molecular formula C294H255B3S3Si3 and a molecular weight of 4001.17 g/mol. Its IUPAC name is 2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene.

Molecular Properties

Compound Name2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene
PubChem CID159082106
Molecular FormulaC294H255B3S3Si3
Molecular Weight4001.17 g/mol
Exact Mass3997.87
IUPAC Name2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene
SMILESCC12CCCCC1(C)[Si](c1ccccc1)(c1ccccc1)c1ccc(-c3ccc4c5c(-c6ccccc6)c6c7ccc(-c8ccc9c(c8)C8(C)CCCCC8(C)[Si]9(c8ccccc8)c8ccccc8)c8c(-c9ccc%10c(c9)C9(C)CCCCC9(C)[Si]%10(c9ccccc9)c9ccccc9)ccc(c6c(-c6ccccc6)c5c5cccc3c54)c87)cc12.CC12CCCCC1(C)c1cc(-c3ccc4c5c(-c6ccccc6)c6c7ccc(-c8ccc9c(c8)C8(C)CCCCC8(C)B9c8ccccc8)c8c(-c9ccc%10c(c9)C9(C)CCCCC9(C)B%10c9ccccc9)ccc(c6c(-c6ccccc6)c5c5cccc3c54)c87)ccc1B2c1ccccc1.CC12CCCCC1(C)c1cc(-c3ccc4c5c(-c6ccccc6)c6c7ccc(-c8ccc9c(c8)C8(C)CCCCC8(C)S9)c8c(-c9ccc%10c(c9)C9(C)CCCCC9(C)S%10)ccc(c6c(-c6ccccc6)c5c5cccc3c54)c87)ccc1S2
InChIInChI=1S/C116H100Si3.C98H85B3.C80H70S3/c1-111-68-31-34-71-114(111,4)117(82-42-19-9-20-43-82,83-44-21-10-22-45-83)99-65-56-79(74-96(99)111)88-59-62-93-104-91(88)54-37-55-92(104)107-102(77-38-15-7-16-39-77)109-94-63-60-89(80-57-66-100-97(75-80)112(2)69-32-35-72-115(112,5)118(100,84-46-23-11-24-47-84)85-48-25-12-26-49-85)105-90(61-64-95(106(94)105)110(109)103(108(93)107)78-40-17-8-18-41-78)81-58-67-101-98(76-81)113(3)70-33-36-73-116(113,6)119(101,86-50-27-13-28-51-86)87-52-29-14-30-53-87;1-93-53-22-25-56-96(93,4)99(67-33-16-9-17-34-67)81-50-41-64(59-78(81)93)70-44-47-75-86-73(70)39-28-40-74(86)89-84(62-29-12-7-13-30-62)91-76-48-45-71(65-42-51-82-79(60-65)94(2)54-23-26-57-97(94,5)100(82)68-35-18-10-19-36-68)87-72(46-49-77(88(76)87)92(91)85(90(75)89)63-31-14-8-15-32-63)66-43-52-83-80(61-66)95(3)55-24-27-58-98(95,6)101(83)69-37-20-11-21-38-69;1-75-38-13-16-41-78(75,4)81-63-35-26-49(44-60(63)75)52-29-32-57-68-55(52)24-19-25-56(68)71-66(47-20-9-7-10-21-47)73-58-33-30-53(50-27-36-64-61(45-50)76(2)39-14-17-42-79(76,5)82-64)69-54(51-28-37-65-62(46-51)77(3)40-15-18-43-80(77,6)83-65)31-34-59(70(58)69)74(73)67(72(57)71)48-22-11-8-12-23-48/h7-30,37-67,74-76H,31-36,68-73H2,1-6H3;7-21,28-52,59-61H,22-27,53-58H2,1-6H3;7-12,19-37,44-46H,13-18,38-43H2,1-6H3
InChIKeyKAZHRDAAPJCMCD-UHFFFAOYSA-N
XLogP71.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms303
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004001.17
LogP ≤ 571.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5a,9a-dimethyl-5-phenyl-2-[10,20,22-tris(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]-6,7,8,9-tetrahydrobenzo[b][1]benzoborole
CID 123965639
2-[3,6-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-8-phenylpyren-1-yl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole
CID 123185243
2-[5-(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[5-(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[5-(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzofuran;8-[5-(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene;7-[5-(1,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-1,3a-dimethyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole;7-[5-(3a-methyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indol-7-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-3a-methyl-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[b]indole
CID 159823496
2-[5-(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole
CID 123316310
6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 158039730
3,10,15,20,23-pentakis-phenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 58068216
3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58988802
10,10-dimethyl-7-perylen-3-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 58175309
3,19-bis(4-phenylphenyl)tridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene
CID 159461885
3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 153419758
2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 171749065
2-(4,5-diphenylnaphthalen-1-yl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 123360409

Frequently Asked Questions

What is the IUPAC name of 2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene?
The IUPAC name of 2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene (CID 159082106) is 2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene.
What is the SMILES notation for 2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene?
The canonical SMILES for 2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene is CC12CCCCC1(C)[Si](c1ccccc1)(c1ccccc1)c1ccc(-c3ccc4c5c(-c6ccccc6)c6c7ccc(-c8ccc9c(c8)C8(C)CCCCC8(C)[Si]9(c8ccccc8)c8ccccc8)c8c(-c9ccc%10c(c9)C9(C)CCCCC9(C)[Si]%10(c9ccccc9)c9ccccc9)ccc(c6c(-c6ccccc6)c5c5cccc3c54)c87)cc12.CC12CCCCC1(C)c1cc(-c3ccc4c5c(-c6ccccc6)c6c7ccc(-c8ccc9c(c8)C8(C)CCCCC8(C)B9c8ccccc8)c8c(-c9ccc%10c(c9)C9(C)CCCCC9(C)B%10c9ccccc9)ccc(c6c(-c6ccccc6)c5c5cccc3c54)c87)ccc1B2c1ccccc1.CC12CCCCC1(C)c1cc(-c3ccc4c5c(-c6ccccc6)c6c7ccc(-c8ccc9c(c8)C8(C)CCCCC8(C)S9)c8c(-c9ccc%10c(c9)C9(C)CCCCC9(C)S%10)ccc(c6c(-c6ccccc6)c5c5cccc3c54)c87)ccc1S2.
What is the InChIKey of 2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene?
The InChIKey is KAZHRDAAPJCMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H100Si3.C98H85B3.C80H70S3/c1-111-68-31-34-71-114(111,4)117(82-42-19-9-20-43-82,83-44-21-10-22-45-83)99-65-56-79(74-96(99)111)88-59-62-93-104-91(88)54-37-55-92(104)107-102(77-38-15-7-16-39-77)109-94-63-60-89(80-57-66-100-97(75-80)112(2)69-32-35-72-115(112,5)118(100,84-46-23-11-24-47-84)85-48-25-12-26-49-85)105-90(61-64-95(106(94)105)110(109)103(108(93)107)78-40-17-8-18-41-78)81-58-67-101-98(76-81)113(3)70-33-36-73-116(113,6)119(101,86-50-27-13-28-51-86)87-52-29-14-30-53-87;1-93-53-22-25-56-96(93,4)99(67-33-16-9-17-34-67)81-50-41-64(59-78(81)93)70-44-47-75-86-73(70)39-28-40-74(86)89-84(62-29-12-7-13-30-62)91-76-48-45-71(65-42-51-82-79(60-65)94(2)54-23-26-57-97(94,5)100(82)68-35-18-10-19-36-68)87-72(46-49-77(88(76)87)92(91)85(90(75)89)63-31-14-8-15-32-63)66-43-52-83-80(61-66)95(3)55-24-27-58-98(95,6)101(83)69-37-20-11-21-38-69;1-75-38-13-16-41-78(75,4)81-63-35-26-49(44-60(63)75)52-29-32-57-68-55(52)24-19-25-56(68)71-66(47-20-9-7-10-21-47)73-58-33-30-53(50-27-36-64-61(45-50)76(2)39-14-17-42-79(76,5)82-64)69-54(51-28-37-65-62(46-51)77(3)40-15-18-43-80(77,6)83-65)31-34-59(70(58)69)74(73)67(72(57)71)48-22-11-8-12-23-48/h7-30,37-67,74-76H,31-36,68-73H2,1-6H3;7-21,28-52,59-61H,22-27,53-58H2,1-6H3;7-12,19-37,44-46H,13-18,38-43H2,1-6H3.
What are the key properties of 2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene?
2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene has a molecular weight of 4001.17 g/mol, XLogP of 71.41, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10,22-bis(5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5,5-diphenyl-6,7,8,9-tetrahydrobenzo[b][1]benzosilole;2-[10,22-bis(5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborol-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-5a,9a-dimethyl-5-phenyl-6,7,8,9-tetrahydrobenzo[b][1]benzoborole;8-[10,22-bis(5a,9a-dimethyl-6,7,8,9-tetrahydrodibenzothiophen-2-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-4a,9b-dimethyl-1,2,3,4-tetrahydrodibenzothiophene is sourced from PubChem (CID 159082106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).