2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole

C48H32N2 — CID 142356248

IUPAC2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)cc3)cc2)cc1
InChIInChI=1S/C48H32N2/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)36-23-27-40(28-24-36)50-46-18-10-8-16-42(46)44-30-26-38(32-48(44)50)37-25-29-43-41-15-7-9-17-45(41)49(47(43)31-37)39-13-5-2-6-14-39/h1-32H
InChIKeyOTQSMAGGWRHUKS-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.88
Rot. Bonds5

About 2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole

2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole (PubChem CID 142356248) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
PubChem CID142356248
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)cc3)cc2)cc1
InChIInChI=1S/C48H32N2/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)36-23-27-40(28-24-36)50-46-18-10-8-16-42(46)44-30-26-38(32-48(44)50)37-25-29-43-41-15-7-9-17-45(41)49(47(43)31-37)39-13-5-2-6-14-39/h1-32H
InChIKeyOTQSMAGGWRHUKS-UHFFFAOYSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
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
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
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
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of 2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole (CID 142356248) is 2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole is c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)cc3)cc2)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole?
The InChIKey is OTQSMAGGWRHUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)36-23-27-40(28-24-36)50-46-18-10-8-16-42(46)44-30-26-38(32-48(44)50)37-25-29-43-41-15-7-9-17-45(41)49(47(43)31-37)39-13-5-2-6-14-39/h1-32H.
What are the key properties of 2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole?
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 636.80 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 142356248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).