3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole

C52H34N2 — CID 134369799

IUPAC3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C52H34N2/c1-3-13-35(14-4-1)37-17-11-18-41(31-37)44-22-12-24-51-52(44)47-34-40(27-30-50(47)53(51)42-19-5-2-6-20-42)39-26-29-49-46(33-39)45-21-9-10-23-48(45)54(49)43-28-25-36-15-7-8-16-38(36)32-43/h1-34H
InChIKeyINRYNEQSXNRVHN-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.03
Rot. Bonds5

About 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole

3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole (PubChem CID 134369799) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole
PubChem CID134369799
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C52H34N2/c1-3-13-35(14-4-1)37-17-11-18-41(31-37)44-22-12-24-51-52(44)47-34-40(27-30-50(47)53(51)42-19-5-2-6-20-42)39-26-29-49-46(33-39)45-21-9-10-23-48(45)54(49)43-28-25-36-15-7-8-16-38(36)32-43/h1-34H
InChIKeyINRYNEQSXNRVHN-UHFFFAOYSA-N
XLogP14.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072788
3-[3-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[3-(2-phenylphenyl)phenyl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165109371
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
3-[4-[5,9-bis(3-phenylphenyl)carbazol-3-yl]phenyl]-5,9-bis(3-phenylphenyl)carbazole;5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-phenyl-5-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158407520
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812

Frequently Asked Questions

What is the IUPAC name of 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole?
The IUPAC name of 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole (CID 134369799) is 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole?
The InChIKey is INRYNEQSXNRVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-3-13-35(14-4-1)37-17-11-18-41(31-37)44-22-12-24-51-52(44)47-34-40(27-30-50(47)53(51)42-19-5-2-6-20-42)39-26-29-49-46(33-39)45-21-9-10-23-48(45)54(49)43-28-25-36-15-7-8-16-38(36)32-43/h1-34H.
What are the key properties of 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole?
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole has a molecular weight of 686.86 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole is sourced from PubChem (CID 134369799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).