9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole

C51H33N3 — CID 154938716

IUPAC9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4c3)nc3ccccc23)cc1
InChIInChI=1S/C51H33N3/c1-4-16-34(17-5-1)42-33-46(52-45-25-13-10-22-39(42)45)36-31-43(51-41-24-12-15-27-48(41)54(50(51)32-36)38-20-8-3-9-21-38)35-28-29-49-44(30-35)40-23-11-14-26-47(40)53(49)37-18-6-2-7-19-37/h1-33H
InChIKeyPCFBIANAPURLAV-UHFFFAOYSA-N
MW687.85 g/mol
LogP13.43
Rot. Bonds5

About 9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole

9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole (PubChem CID 154938716) has the molecular formula C51H33N3 and a molecular weight of 687.85 g/mol. Its IUPAC name is 9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole
PubChem CID154938716
Molecular FormulaC51H33N3
Molecular Weight687.85 g/mol
Exact Mass687.27
IUPAC Name9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4c3)nc3ccccc23)cc1
InChIInChI=1S/C51H33N3/c1-4-16-34(17-5-1)42-33-46(52-45-25-13-10-22-39(42)45)36-31-43(51-41-24-12-15-27-48(41)54(50(51)32-36)38-20-8-3-9-21-38)35-28-29-49-44(30-35)40-23-11-14-26-47(40)53(49)37-18-6-2-7-19-37/h1-33H
InChIKeyPCFBIANAPURLAV-UHFFFAOYSA-N
XLogP13.43
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.85
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[2-(4-carbazol-9-ylphenyl)quinolin-4-yl]phenyl]carbazole
CID 90272257
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
CID 162775169
5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 130326772
3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline
CID 138643715
5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole
CID 71291270
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole
CID 158283831
9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole
CID 154938925
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134598259
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 155203330

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole?
The IUPAC name of 9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole (CID 154938716) is 9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole.
What is the SMILES notation for 9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole?
The canonical SMILES for 9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole is c1ccc(-c2cc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4c3)nc3ccccc23)cc1.
What is the InChIKey of 9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole?
The InChIKey is PCFBIANAPURLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3/c1-4-16-34(17-5-1)42-33-46(52-45-25-13-10-22-39(42)45)36-31-43(51-41-24-12-15-27-48(41)54(50(51)32-36)38-20-8-3-9-21-38)35-28-29-49-44(30-35)40-23-11-14-26-47(40)53(49)37-18-6-2-7-19-37/h1-33H.
What are the key properties of 9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole?
9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole has a molecular weight of 687.85 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole is sourced from PubChem (CID 154938716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).