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

C52H34N2 — CID 170072788

IUPAC3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)cc4c4c(-c5ccccc5)cccc43)c2)cc1
InChIInChI=1S/C52H34N2/c1-3-13-35(14-4-1)39-19-11-20-42(31-39)54-50-30-27-41(34-47(50)52-44(22-12-24-51(52)54)37-16-5-2-6-17-37)40-26-29-49-46(33-40)45-21-9-10-23-48(45)53(49)43-28-25-36-15-7-8-18-38(36)32-43/h1-34H
InChIKeyLVCVIMGYXKBDSA-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.03
Rot. Bonds5

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

3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole (PubChem CID 170072788) 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)-5-phenyl-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole
PubChem CID170072788
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)cc4c4c(-c5ccccc5)cccc43)c2)cc1
InChIInChI=1S/C52H34N2/c1-3-13-35(14-4-1)39-19-11-20-42(31-39)54-50-30-27-41(34-47(50)52-44(22-12-24-51(52)54)37-16-5-2-6-17-37)40-26-29-49-46(33-40)45-21-9-10-23-48(45)53(49)43-28-25-36-15-7-8-18-38(36)32-43/h1-34H
InChIKeyLVCVIMGYXKBDSA-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)-9-phenyl-5-(3-phenylphenyl)carbazole
CID 134369799
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
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
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-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 134369790
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
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

Frequently Asked Questions

What is the IUPAC name of 3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole (CID 170072788) is 3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)cc4c4c(-c5ccccc5)cccc43)c2)cc1.
What is the InChIKey of 3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole?
The InChIKey is LVCVIMGYXKBDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-3-13-35(14-4-1)39-19-11-20-42(31-39)54-50-30-27-41(34-47(50)52-44(22-12-24-51(52)54)37-16-5-2-6-17-37)40-26-29-49-46(33-40)45-21-9-10-23-48(45)53(49)43-28-25-36-15-7-8-18-38(36)32-43/h1-34H.
What are the key properties of 3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole?
3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(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)-5-phenyl-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 170072788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).