3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole

C52H34N2 — CID 126764137

IUPAC3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C52H34N2/c1-2-17-38(18-3-1)53-49-26-12-10-24-44(49)46-33-36(29-31-51(46)53)39-19-6-8-22-42(39)43-23-9-7-20-40(43)37-30-32-52-47(34-37)45-25-11-13-27-50(45)54(52)48-28-14-16-35-15-4-5-21-41(35)48/h1-34H
InChIKeyCBXFWCCKFDNTQE-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.03
Rot. Bonds5

About 3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole

3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole (PubChem CID 126764137) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
PubChem CID126764137
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C52H34N2/c1-2-17-38(18-3-1)53-49-26-12-10-24-44(49)46-33-36(29-31-51(46)53)39-19-6-8-22-42(39)43-23-9-7-20-40(43)37-30-32-52-47(34-37)45-25-11-13-27-50(45)54(52)48-28-14-16-35-15-4-5-21-41(35)48/h1-34H
InChIKeyCBXFWCCKFDNTQE-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-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159018635
3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
CID 87171359
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole
CID 159394605
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole (CID 126764137) is 3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)cc1.
What is the InChIKey of 3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole?
The InChIKey is CBXFWCCKFDNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-2-17-38(18-3-1)53-49-26-12-10-24-44(49)46-33-36(29-31-51(46)53)39-19-6-8-22-42(39)43-23-9-7-20-40(43)37-30-32-52-47(34-37)45-25-11-13-27-50(45)54(52)48-28-14-16-35-15-4-5-21-41(35)48/h1-34H.
What are the key properties of 3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole?
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole 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-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 126764137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).