3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole

C50H32N2 — CID 118581890

IUPAC3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)c3ccccc23)cc1
InChIInChI=1S/C50H32N2/c1-2-13-33(14-3-1)37-27-30-48(40-19-7-6-18-39(37)40)52-47-23-11-9-21-42(47)44-32-36(26-29-50(44)52)35-25-28-49-43(31-35)41-20-8-10-22-46(41)51(49)45-24-12-16-34-15-4-5-17-38(34)45/h1-32H
InChIKeyDBOIYZOHLICGMO-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.52
Rot. Bonds4

About 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole

3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole (PubChem CID 118581890) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole.

Molecular Properties

Compound Name3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
PubChem CID118581890
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)c3ccccc23)cc1
InChIInChI=1S/C50H32N2/c1-2-13-33(14-3-1)37-27-30-48(40-19-7-6-18-39(37)40)52-47-23-11-9-21-42(47)44-32-36(26-29-50(44)52)35-25-28-49-43(31-35)41-20-8-10-22-46(41)51(49)45-24-12-16-34-15-4-5-17-38(34)45/h1-32H
InChIKeyDBOIYZOHLICGMO-UHFFFAOYSA-N
XLogP13.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-11-(4-phenylnaphthalen-1-yl)benzo[a]carbazole
CID 167243659
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
9-naphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-phenanthren-9-ylphenyl)carbazole
CID 160833485
3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole
CID 59236729
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
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
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

Frequently Asked Questions

What is the IUPAC name of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole?
The IUPAC name of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole (CID 118581890) is 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole.
What is the SMILES notation for 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole?
The canonical SMILES for 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)c3ccccc23)cc1.
What is the InChIKey of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole?
The InChIKey is DBOIYZOHLICGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-2-13-33(14-3-1)37-27-30-48(40-19-7-6-18-39(37)40)52-47-23-11-9-21-42(47)44-32-36(26-29-50(44)52)35-25-28-49-43(31-35)41-20-8-10-22-46(41)51(49)45-24-12-16-34-15-4-5-17-38(34)45/h1-32H.
What are the key properties of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole?
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole has a molecular weight of 660.82 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole is sourced from PubChem (CID 118581890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).