9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole

C82H52N6 — CID 137368341

IUPAC9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2-c2ccccn2)cc1
InChIInChI=1S/C82H52N6/c1-5-23-53(24-6-1)57-40-44-74-65(49-57)66-50-58(54-25-7-2-8-26-54)41-45-75(66)85(74)79-78(69-35-21-22-48-83-69)80(86-76-46-42-59(55-27-9-3-10-28-55)51-67(76)68-52-60(43-47-77(68)86)56-29-11-4-12-30-56)82(88-72-38-19-15-33-63(72)64-34-16-20-39-73(64)88)84-81(79)87-70-36-17-13-31-61(70)62-32-14-18-37-71(62)87/h1-52H
InChIKeyHKSZIELJHQEICQ-UHFFFAOYSA-N
MW1121.36 g/mol
LogP21.20
Rot. Bonds9

About 9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole

9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole (PubChem CID 137368341) has the molecular formula C82H52N6 and a molecular weight of 1121.36 g/mol. Its IUPAC name is 9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
PubChem CID137368341
Molecular FormulaC82H52N6
Molecular Weight1121.36 g/mol
Exact Mass1120.43
IUPAC Name9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2-c2ccccn2)cc1
InChIInChI=1S/C82H52N6/c1-5-23-53(24-6-1)57-40-44-74-65(49-57)66-50-58(54-25-7-2-8-26-54)41-45-75(66)85(74)79-78(69-35-21-22-48-83-69)80(86-76-46-42-59(55-27-9-3-10-28-55)51-67(76)68-52-60(43-47-77(68)86)56-29-11-4-12-30-56)82(88-72-38-19-15-33-63(72)64-34-16-20-39-73(64)88)84-81(79)87-70-36-17-13-31-61(70)62-32-14-18-37-71(62)87/h1-52H
InChIKeyHKSZIELJHQEICQ-UHFFFAOYSA-N
XLogP21.20
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.36
LogP ≤ 521.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
CID 146511865
5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 151566908
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
9-[2-carbazol-9-yl-4-dibenzofuran-4-yl-5,6-bis(3,6-diphenylcarbazol-9-yl)-3-pyridinyl]-3,6-diphenylcarbazole
CID 150433689
3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
CID 146512463
5-[4-dibenzothiophen-4-yl-2,6-bis(3,6-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole
CID 150006227
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2,4,5,6-tetrapyridin-2-ylbenzonitrile
CID 140966629
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
9-[3,6-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]-3,6-diphenylcarbazole
CID 142508353

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole (CID 137368341) is 9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2-c2ccccn2)cc1.
What is the InChIKey of 9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole?
The InChIKey is HKSZIELJHQEICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H52N6/c1-5-23-53(24-6-1)57-40-44-74-65(49-57)66-50-58(54-25-7-2-8-26-54)41-45-75(66)85(74)79-78(69-35-21-22-48-83-69)80(86-76-46-42-59(55-27-9-3-10-28-55)51-67(76)68-52-60(43-47-77(68)86)56-29-11-4-12-30-56)82(88-72-38-19-15-33-63(72)64-34-16-20-39-73(64)88)84-81(79)87-70-36-17-13-31-61(70)62-32-14-18-37-71(62)87/h1-52H.
What are the key properties of 9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole?
9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole has a molecular weight of 1121.36 g/mol, XLogP of 21.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 137368341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).