9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole

C57H36N6 — CID 165167529

IUPAC9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)n3)n2)cc1
InChIInChI=1S/C57H36N6/c1-2-16-37(17-3-1)38-32-33-55-45(34-38)44-22-8-13-29-54(44)63(55)57-31-15-24-47(60-57)49-36-39(61-50-25-9-4-18-40(50)41-19-5-10-26-51(41)61)35-48(58-49)46-23-14-30-56(59-46)62-52-27-11-6-20-42(52)43-21-7-12-28-53(43)62/h1-36H
InChIKeyHPMVLQCHIXDWQC-UHFFFAOYSA-N
MW804.96 g/mol
LogP14.16
Rot. Bonds6

About 9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole

9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole (PubChem CID 165167529) has the molecular formula C57H36N6 and a molecular weight of 804.96 g/mol. Its IUPAC name is 9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole
PubChem CID165167529
Molecular FormulaC57H36N6
Molecular Weight804.96 g/mol
Exact Mass804.30
IUPAC Name9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)n3)n2)cc1
InChIInChI=1S/C57H36N6/c1-2-16-37(17-3-1)38-32-33-55-45(34-38)44-22-8-13-29-54(44)63(55)57-31-15-24-47(60-57)49-36-39(61-50-25-9-4-18-40(50)41-19-5-10-26-51(41)61)35-48(58-49)46-23-14-30-56(59-46)62-52-27-11-6-20-42(52)43-21-7-12-28-53(43)62/h1-36H
InChIKeyHPMVLQCHIXDWQC-UHFFFAOYSA-N
XLogP14.16
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.96
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole with MolForge

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Related Compounds

3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
9-[6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbazole
CID 138513651
5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole
CID 118504605
3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 160598852
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 165167552
9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole
CID 59500751
7-(4-phenylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)indolo[2,3-b]carbazole
CID 129254521
2-[2-carbazol-9-yl-6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
CID 165167503
9-[6-[6-[6-[6-carbazol-9-yl-4-(3-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(3-phenylphenyl)-2-pyridinyl]carbazole
CID 165167516
9-(6-methyl-2-pyridinyl)-3-phenylcarbazole
CID 144734478
5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole
CID 58570110
[3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane
CID 168780371

Frequently Asked Questions

What is the IUPAC name of 9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole?
The IUPAC name of 9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole (CID 165167529) is 9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole?
The canonical SMILES for 9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)n3)n2)cc1.
What is the InChIKey of 9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole?
The InChIKey is HPMVLQCHIXDWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6/c1-2-16-37(17-3-1)38-32-33-55-45(34-38)44-22-8-13-29-54(44)63(55)57-31-15-24-47(60-57)49-36-39(61-50-25-9-4-18-40(50)41-19-5-10-26-51(41)61)35-48(58-49)46-23-14-30-56(59-46)62-52-27-11-6-20-42(52)43-21-7-12-28-53(43)62/h1-36H.
What are the key properties of 9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole?
9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole has a molecular weight of 804.96 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole is sourced from PubChem (CID 165167529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).