9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole

C64H42N4 — CID 118289394

IUPAC9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C64H42N4/c1-4-16-45(17-5-1)59-39-51(40-60(66-59)58-24-14-15-35-65-58)44-29-27-43(28-30-44)48-36-49(46-31-33-56-54-22-10-12-25-61(54)67(63(56)41-46)52-18-6-2-7-19-52)38-50(37-48)47-32-34-57-55-23-11-13-26-62(55)68(64(57)42-47)53-20-8-3-9-21-53/h1-42H
InChIKeyPTRILXLCMSVWGL-UHFFFAOYSA-N
MW867.07 g/mol
LogP16.67
Rot. Bonds8

About 9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole

9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole (PubChem CID 118289394) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
PubChem CID118289394
Molecular FormulaC64H42N4
Molecular Weight867.07 g/mol
Exact Mass866.34
IUPAC Name9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C64H42N4/c1-4-16-45(17-5-1)59-39-51(40-60(66-59)58-24-14-15-35-65-58)44-29-27-43(28-30-44)48-36-49(46-31-33-56-54-22-10-12-25-61(54)67(63(56)41-46)52-18-6-2-7-19-52)38-50(37-48)47-32-34-57-55-23-11-13-26-62(55)68(64(57)42-47)53-20-8-3-9-21-53/h1-42H
InChIKeyPTRILXLCMSVWGL-UHFFFAOYSA-N
XLogP16.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.07
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289395
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 59325997
7-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole;7-[9-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 159163877
5-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587835
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221681
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157415442
5-phenyl-8-[9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 129221692
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59326106

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole (CID 118289394) is 9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole is c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of 9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole?
The InChIKey is PTRILXLCMSVWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-4-16-45(17-5-1)59-39-51(40-60(66-59)58-24-14-15-35-65-58)44-29-27-43(28-30-44)48-36-49(46-31-33-56-54-22-10-12-25-61(54)67(63(56)41-46)52-18-6-2-7-19-52)38-50(37-48)47-32-34-57-55-23-11-13-26-62(55)68(64(57)42-47)53-20-8-3-9-21-53/h1-42H.
What are the key properties of 9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole?
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole has a molecular weight of 867.07 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 118289394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).