CID 160619323

C488H288N24O2S2 — CID 160619323

IUPAC—
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4cc5c7ccccc7n(-c7nc(-c8ccc(-c9ccccc9)cc8)c8ccccc8n7)c5cc4C64c5ccccc5-c5ccccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3cc4c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c4cc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4cc5c7ccccc7n(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c5cc4C64c5ccccc5-c5ccccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4cc5c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c5cc4C64c5ccccc5-c5ccccc54)cc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc2C2(c3ccccc3-c3ccccc32)c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc21.c1ccc2c(c1)-c1ccccc1C21c2cc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3cc2C2(c3ccccc3-c3ccccc32)c2cc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3cc21
InChIInChI=1S/C90H54N6.2C86H52N4.C78H46N6.C74H42N2O2.C74H42N2S2/c1-3-23-55(24-4-1)57-43-47-59(48-44-57)85-67-33-11-19-39-79(67)91-87(93-85)95-81-41-21-13-31-65(81)69-51-75-77(53-83(69)95)89(71-35-15-7-27-61(71)62-28-8-16-36-72(62)89)76-52-70-66-32-14-22-42-82(66)96(84(70)54-78(76)90(75)73-37-17-9-29-63(73)64-30-10-18-38-74(64)90)88-92-80-40-20-12-34-68(80)86(94-88)60-49-45-58(46-50-60)56-25-5-2-6-26-56;1-3-23-53(24-4-1)87-77-39-19-11-31-61(77)65-47-55(43-45-81(65)87)89-79-41-21-13-33-63(79)67-49-73-75(51-83(67)89)85(69-35-15-7-27-57(69)58-28-8-16-36-70(58)85)74-50-68-64-34-14-22-42-80(64)90(84(68)52-76(74)86(73)71-37-17-9-29-59(71)60-30-10-18-38-72(60)86)56-44-46-82-66(48-56)62-32-12-20-40-78(62)88(82)54-25-5-2-6-26-54;1-3-23-53(24-4-1)87-77-39-19-11-31-61(77)65-45-43-55(47-81(65)87)89-79-41-21-13-33-63(79)67-49-73-75(51-83(67)89)85(69-35-15-7-27-57(69)58-28-8-16-36-70(58)85)74-50-68-64-34-14-22-42-80(64)90(84(68)52-76(74)86(73)71-37-17-9-29-59(71)60-30-10-18-38-72(60)86)56-44-46-66-62-32-12-20-40-78(62)88(82(66)48-56)54-25-5-2-6-26-54;1-3-23-47(24-4-1)73-55-33-11-19-39-67(55)79-75(81-73)83-69-41-21-13-31-53(69)57-43-63-65(45-71(57)83)77(59-35-15-7-27-49(59)50-28-8-16-36-60(50)77)64-44-58-54-32-14-22-42-70(54)84(76-80-68-40-20-12-34-56(68)74(82-76)48-25-5-2-6-26-48)72(58)46-66(64)78(63)61-37-17-9-29-51(61)52-30-10-18-38-62(52)78;2*1-9-25-57-45(17-1)46-18-2-10-26-58(46)73(57)61-39-53-49-21-5-13-29-65(49)76(44-34-36-72-56(38-44)52-24-8-16-32-70(52)78-72)68(53)42-64(61)74(59-27-11-3-19-47(59)48-20-4-12-28-60(48)74)62-40-54-50-22-6-14-30-66(50)75(67(54)41-63(62)73)43-33-35-71-55(37-43)51-23-7-15-31-69(51)77-71/h1-54H;2*1-52H;1-46H;2*1-42H
InChIKeyRGMPNGIVHOLHNY-UHFFFAOYSA-N
MW6583.97 g/mol
LogP120.22
Rot. Bonds22

About CID 160619323

CID 160619323 (PubChem CID 160619323) has the molecular formula C488H288N24O2S2 and a molecular weight of 6583.97 g/mol.

Molecular Properties

Compound NameCID 160619323
PubChem CID160619323
Molecular FormulaC488H288N24O2S2
Molecular Weight6583.97 g/mol
Exact Mass6578.26
IUPAC Name—
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4cc5c7ccccc7n(-c7nc(-c8ccc(-c9ccccc9)cc8)c8ccccc8n7)c5cc4C64c5ccccc5-c5ccccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3cc4c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c4cc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4cc5c7ccccc7n(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c5cc4C64c5ccccc5-c5ccccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4cc5c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c5cc4C64c5ccccc5-c5ccccc54)cc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc2C2(c3ccccc3-c3ccccc32)c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc21.c1ccc2c(c1)-c1ccccc1C21c2cc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3cc2C2(c3ccccc3-c3ccccc32)c2cc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3cc21
InChIInChI=1S/C90H54N6.2C86H52N4.C78H46N6.C74H42N2O2.C74H42N2S2/c1-3-23-55(24-4-1)57-43-47-59(48-44-57)85-67-33-11-19-39-79(67)91-87(93-85)95-81-41-21-13-31-65(81)69-51-75-77(53-83(69)95)89(71-35-15-7-27-61(71)62-28-8-16-36-72(62)89)76-52-70-66-32-14-22-42-82(66)96(84(70)54-78(76)90(75)73-37-17-9-29-63(73)64-30-10-18-38-74(64)90)88-92-80-40-20-12-34-68(80)86(94-88)60-49-45-58(46-50-60)56-25-5-2-6-26-56;1-3-23-53(24-4-1)87-77-39-19-11-31-61(77)65-47-55(43-45-81(65)87)89-79-41-21-13-33-63(79)67-49-73-75(51-83(67)89)85(69-35-15-7-27-57(69)58-28-8-16-36-70(58)85)74-50-68-64-34-14-22-42-80(64)90(84(68)52-76(74)86(73)71-37-17-9-29-59(71)60-30-10-18-38-72(60)86)56-44-46-82-66(48-56)62-32-12-20-40-78(62)88(82)54-25-5-2-6-26-54;1-3-23-53(24-4-1)87-77-39-19-11-31-61(77)65-45-43-55(47-81(65)87)89-79-41-21-13-33-63(79)67-49-73-75(51-83(67)89)85(69-35-15-7-27-57(69)58-28-8-16-36-70(58)85)74-50-68-64-34-14-22-42-80(64)90(84(68)52-76(74)86(73)71-37-17-9-29-59(71)60-30-10-18-38-72(60)86)56-44-46-66-62-32-12-20-40-78(62)88(82(66)48-56)54-25-5-2-6-26-54;1-3-23-47(24-4-1)73-55-33-11-19-39-67(55)79-75(81-73)83-69-41-21-13-31-53(69)57-43-63-65(45-71(57)83)77(59-35-15-7-27-49(59)50-28-8-16-36-60(50)77)64-44-58-54-32-14-22-42-70(54)84(76-80-68-40-20-12-34-56(68)74(82-76)48-25-5-2-6-26-48)72(58)46-66(64)78(63)61-37-17-9-29-51(61)52-30-10-18-38-62(52)78;2*1-9-25-57-45(17-1)46-18-2-10-26-58(46)73(57)61-39-53-49-21-5-13-29-65(49)76(44-34-36-72-56(38-44)52-24-8-16-32-70(52)78-72)68(53)42-64(61)74(59-27-11-3-19-47(59)48-20-4-12-28-60(48)74)62-40-54-50-22-6-14-30-66(50)75(67(54)41-63(62)73)43-33-35-71-55(37-43)51-23-7-15-31-69(51)77-71/h1-54H;2*1-52H;1-46H;2*1-42H
InChIKeyRGMPNGIVHOLHNY-UHFFFAOYSA-N
XLogP120.22
TPSA208.28 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms516
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006583.97
LogP ≤ 5120.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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Related Compounds

3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 158788223
3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole
CID 139315619
3-[9-(4-tert-butylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole;3-dibenzothiophen-2-yl-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 161282995
5-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-dibenzothiophen-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenyl-5-[9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazol-2-yl]benzo[a]carbazole
CID 162105305
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 138475168
9-dibenzofuran-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;9-dibenzothiophen-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157326935
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole
CID 159844636
CID 134551656
CID 134551656
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
3-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159748904

Frequently Asked Questions

What is the IUPAC name of CID 160619323?
The IUPAC name of CID 160619323 (CID 160619323) is not available.
What is the SMILES notation for CID 160619323?
The canonical SMILES for CID 160619323 is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4cc5c7ccccc7n(-c7nc(-c8ccc(-c9ccccc9)cc8)c8ccccc8n7)c5cc4C64c5ccccc5-c5ccccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3cc4c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c4cc3C53c4ccccc4-c4ccccc43)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4cc5c7ccccc7n(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c5cc4C64c5ccccc5-c5ccccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5-c5ccccc54)c4cc5c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c5cc4C64c5ccccc5-c5ccccc54)cc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc2C2(c3ccccc3-c3ccccc32)c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc21.c1ccc2c(c1)-c1ccccc1C21c2cc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3cc2C2(c3ccccc3-c3ccccc32)c2cc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3cc21.
What is the InChIKey of CID 160619323?
The InChIKey is RGMPNGIVHOLHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H54N6.2C86H52N4.C78H46N6.C74H42N2O2.C74H42N2S2/c1-3-23-55(24-4-1)57-43-47-59(48-44-57)85-67-33-11-19-39-79(67)91-87(93-85)95-81-41-21-13-31-65(81)69-51-75-77(53-83(69)95)89(71-35-15-7-27-61(71)62-28-8-16-36-72(62)89)76-52-70-66-32-14-22-42-82(66)96(84(70)54-78(76)90(75)73-37-17-9-29-63(73)64-30-10-18-38-74(64)90)88-92-80-40-20-12-34-68(80)86(94-88)60-49-45-58(46-50-60)56-25-5-2-6-26-56;1-3-23-53(24-4-1)87-77-39-19-11-31-61(77)65-47-55(43-45-81(65)87)89-79-41-21-13-33-63(79)67-49-73-75(51-83(67)89)85(69-35-15-7-27-57(69)58-28-8-16-36-70(58)85)74-50-68-64-34-14-22-42-80(64)90(84(68)52-76(74)86(73)71-37-17-9-29-59(71)60-30-10-18-38-72(60)86)56-44-46-82-66(48-56)62-32-12-20-40-78(62)88(82)54-25-5-2-6-26-54;1-3-23-53(24-4-1)87-77-39-19-11-31-61(77)65-45-43-55(47-81(65)87)89-79-41-21-13-33-63(79)67-49-73-75(51-83(67)89)85(69-35-15-7-27-57(69)58-28-8-16-36-70(58)85)74-50-68-64-34-14-22-42-80(64)90(84(68)52-76(74)86(73)71-37-17-9-29-59(71)60-30-10-18-38-72(60)86)56-44-46-66-62-32-12-20-40-78(62)88(82(66)48-56)54-25-5-2-6-26-54;1-3-23-47(24-4-1)73-55-33-11-19-39-67(55)79-75(81-73)83-69-41-21-13-31-53(69)57-43-63-65(45-71(57)83)77(59-35-15-7-27-49(59)50-28-8-16-36-60(50)77)64-44-58-54-32-14-22-42-70(54)84(76-80-68-40-20-12-34-56(68)74(82-76)48-25-5-2-6-26-48)72(58)46-66(64)78(63)61-37-17-9-29-51(61)52-30-10-18-38-62(52)78;2*1-9-25-57-45(17-1)46-18-2-10-26-58(46)73(57)61-39-53-49-21-5-13-29-65(49)76(44-34-36-72-56(38-44)52-24-8-16-32-70(52)78-72)68(53)42-64(61)74(59-27-11-3-19-47(59)48-20-4-12-28-60(48)74)62-40-54-50-22-6-14-30-66(50)75(67(54)41-63(62)73)43-33-35-71-55(37-43)51-23-7-15-31-69(51)77-71/h1-54H;2*1-52H;1-46H;2*1-42H.
What are the key properties of CID 160619323?
CID 160619323 has a molecular weight of 6583.97 g/mol, XLogP of 120.22, 22 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160619323 is sourced from PubChem (CID 160619323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).