9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole

C42H27N — CID 87171339

IUPAC9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
SMILESc1cc(-c2ccc3ccc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)c1
InChIInChI=1S/C42H27N/c1-3-14-35-29(10-1)19-20-30-21-22-33(26-38(30)35)31-12-7-13-32(25-31)34-23-24-42-39(27-34)37-16-5-6-17-41(37)43(42)40-18-8-11-28-9-2-4-15-36(28)40/h1-27H
InChIKeyZUUCHJGDGBGERV-UHFFFAOYSA-N
MW545.69 g/mol
LogP11.58
Rot. Bonds3

About 9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole

9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole (PubChem CID 87171339) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is 9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole.

Molecular Properties

Compound Name9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
PubChem CID87171339
Molecular FormulaC42H27N
Molecular Weight545.69 g/mol
Exact Mass545.21
IUPAC Name9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
SMILESc1cc(-c2ccc3ccc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)c1
InChIInChI=1S/C42H27N/c1-3-14-35-29(10-1)19-20-30-21-22-33(26-38(30)35)31-12-7-13-32(25-31)34-23-24-42-39(27-34)37-16-5-6-17-41(37)43(42)40-18-8-11-28-9-2-4-15-36(28)40/h1-27H
InChIKeyZUUCHJGDGBGERV-UHFFFAOYSA-N
XLogP11.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 511.58
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

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-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;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 164975300
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
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
7-methyl-10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazole
CID 138662750
9-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)carbazole;9-naphthalen-1-yl-3-(3-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-triphenylen-2-ylphenyl)carbazole
CID 158894954
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
11-[3,5-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-(3,5-diphenylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 158931818
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
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

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole?
The IUPAC name of 9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole (CID 87171339) is 9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole.
What is the SMILES notation for 9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole?
The canonical SMILES for 9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole is c1cc(-c2ccc3ccc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)c1.
What is the InChIKey of 9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole?
The InChIKey is ZUUCHJGDGBGERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-3-14-35-29(10-1)19-20-30-21-22-33(26-38(30)35)31-12-7-13-32(25-31)34-23-24-42-39(27-34)37-16-5-6-17-41(37)43(42)40-18-8-11-28-9-2-4-15-36(28)40/h1-27H.
What are the key properties of 9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole?
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole has a molecular weight of 545.69 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole is sourced from PubChem (CID 87171339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).