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

C45H30N4 — CID 164817113

IUPAC9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cn3)c2)cc1
InChIInChI=1S/C45H30N4/c1-3-11-31(12-4-1)36-28-42(40-16-9-10-26-46-40)48-43(29-36)41-24-22-35(30-47-41)33-20-18-32(19-21-33)34-23-25-45-39(27-34)38-15-7-8-17-44(38)49(45)37-13-5-2-6-14-37/h1-30H
InChIKeyYRCYOPPSGLZATJ-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.30
Rot. Bonds6

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

9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole (PubChem CID 164817113) has the molecular formula C45H30N4 and a molecular weight of 626.76 g/mol. Its IUPAC name is 9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
PubChem CID164817113
Molecular FormulaC45H30N4
Molecular Weight626.76 g/mol
Exact Mass626.25
IUPAC Name9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cn3)c2)cc1
InChIInChI=1S/C45H30N4/c1-3-11-31(12-4-1)36-28-42(40-16-9-10-26-46-40)48-43(29-36)41-24-22-35(30-47-41)33-20-18-32(19-21-33)34-23-25-45-39(27-34)38-15-7-8-17-44(38)49(45)37-13-5-2-6-14-37/h1-30H
InChIKeyYRCYOPPSGLZATJ-UHFFFAOYSA-N
XLogP11.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 511.30
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
8-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587644
9-phenyl-2-[3-(9-phenylcarbazol-2-yl)-5-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 118289394
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221681
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
2,4-bis(4-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;4-(3,5-diphenylphenyl)-2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;9-[3-[2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidin-4-yl]phenyl]carbazole
CID 165110893
3-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indole
CID 161354836
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
CID 67952723
CID 159471521
CID 159471521
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole (CID 164817113) is 9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole is c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cn3)c2)cc1.
What is the InChIKey of 9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole?
The InChIKey is YRCYOPPSGLZATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4/c1-3-11-31(12-4-1)36-28-42(40-16-9-10-26-46-40)48-43(29-36)41-24-22-35(30-47-41)33-20-18-32(19-21-33)34-23-25-45-39(27-34)38-15-7-8-17-44(38)49(45)37-13-5-2-6-14-37/h1-30H.
What are the key properties of 9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole?
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole has a molecular weight of 626.76 g/mol, XLogP of 11.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 164817113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).