9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole

C52H33N — CID 90126083

IUPAC9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C52H33N/c1-3-11-34(12-4-1)42-31-43(33-44(32-42)46-18-10-20-49-52(46)47-17-7-8-19-48(47)53(49)45-15-5-2-6-16-45)36-23-21-35(22-24-36)41-29-39-27-25-37-13-9-14-38-26-28-40(30-41)51(39)50(37)38/h1-33H
InChIKeyMNRQCPVABZNVGP-UHFFFAOYSA-N
MW671.84 g/mol
LogP14.35
Rot. Bonds5

About 9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole

9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole (PubChem CID 90126083) has the molecular formula C52H33N and a molecular weight of 671.84 g/mol. Its IUPAC name is 9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole
PubChem CID90126083
Molecular FormulaC52H33N
Molecular Weight671.84 g/mol
Exact Mass671.26
IUPAC Name9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C52H33N/c1-3-11-34(12-4-1)42-31-43(33-44(32-42)46-18-10-20-49-52(46)47-17-7-8-19-48(47)53(49)45-15-5-2-6-16-45)36-23-21-35(22-24-36)41-29-39-27-25-37-13-9-14-38-26-28-40(30-41)51(39)50(37)38/h1-33H
InChIKeyMNRQCPVABZNVGP-UHFFFAOYSA-N
XLogP14.35
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.84
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-naphthalen-2-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 176878181
4-[3-(4-chlorophenyl)-5-phenylphenyl]-9-phenylcarbazole
CID 176878196
4-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 126592656
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
9-(4-pyren-2-ylphenyl)carbazole
CID 58273485
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole
CID 118490729
7-phenyl-4,9-di(pyren-2-yl)benzo[c]carbazole
CID 139341378
9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
CID 176878123
3-[6-[6-(3,5-diphenylphenyl)naphthalen-2-yl]naphthalen-2-yl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 90397305
9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole
CID 134391811
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole?
The IUPAC name of 9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole (CID 90126083) is 9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole?
The canonical SMILES for 9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole is c1ccc(-c2cc(-c3ccc(-c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole?
The InChIKey is MNRQCPVABZNVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N/c1-3-11-34(12-4-1)42-31-43(33-44(32-42)46-18-10-20-49-52(46)47-17-7-8-19-48(47)53(49)45-15-5-2-6-16-45)36-23-21-35(22-24-36)41-29-39-27-25-37-13-9-14-38-26-28-40(30-41)51(39)50(37)38/h1-33H.
What are the key properties of 9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole?
9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole has a molecular weight of 671.84 g/mol, XLogP of 14.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 90126083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).