3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole

C47H31N3 — CID 164797248

IUPAC3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccncc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C47H31N3/c1-2-8-32(9-3-1)33-14-22-39(23-15-33)50-44-12-6-4-10-40(44)42-24-18-37(31-47(42)50)36-19-25-46-43(30-36)41-11-5-7-13-45(41)49(46)38-20-16-34(17-21-38)35-26-28-48-29-27-35/h1-31H
InChIKeySJNINSPKIZSVAO-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.28
Rot. Bonds5

About 3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole

3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole (PubChem CID 164797248) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole
PubChem CID164797248
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccncc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C47H31N3/c1-2-8-32(9-3-1)33-14-22-39(23-15-33)50-44-12-6-4-10-40(44)42-24-18-37(31-47(42)50)36-19-25-46-43(30-36)41-11-5-7-13-45(41)49(46)38-20-16-34(17-21-38)35-26-28-48-29-27-35/h1-31H
InChIKeySJNINSPKIZSVAO-UHFFFAOYSA-N
XLogP12.28
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 118231168
2-phenyl-9-(4-phenylphenyl)-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170072561
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 118698991
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole?
The IUPAC name of 3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole (CID 164797248) is 3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole.
What is the SMILES notation for 3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole?
The canonical SMILES for 3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccncc6)cc5)cc43)cc2)cc1.
What is the InChIKey of 3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole?
The InChIKey is SJNINSPKIZSVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-2-8-32(9-3-1)33-14-22-39(23-15-33)50-44-12-6-4-10-40(44)42-24-18-37(31-47(42)50)36-19-25-46-43(30-36)41-11-5-7-13-45(41)49(46)38-20-16-34(17-21-38)35-26-28-48-29-27-35/h1-31H.
What are the key properties of 3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole?
3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole has a molecular weight of 637.79 g/mol, XLogP of 12.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole is sourced from PubChem (CID 164797248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).