3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole

C42H27N — CID 88569900

IUPAC3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole
SMILESc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc3ccccc3c3ccccc23)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C42H27N/c1-3-16-33-28(11-1)13-10-21-34(33)31-15-9-14-29(25-31)30-23-24-41-39(26-30)38-20-7-8-22-40(38)43(41)42-27-32-12-2-4-17-35(32)36-18-5-6-19-37(36)42/h1-27H
InChIKeyHGBXSYXLJQKERT-UHFFFAOYSA-N
MW545.69 g/mol
LogP11.58
Rot. Bonds3

About 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole

3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole (PubChem CID 88569900) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole.

Molecular Properties

Compound Name3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole
PubChem CID88569900
Molecular FormulaC42H27N
Molecular Weight545.69 g/mol
Exact Mass545.21
IUPAC Name3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole
SMILESc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc3ccccc3c3ccccc23)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C42H27N/c1-3-16-33-28(11-1)13-10-21-34(33)31-15-9-14-29(25-31)30-23-24-41-39(26-30)38-20-7-8-22-40(38)43(41)42-27-32-12-2-4-17-35(32)36-18-5-6-19-37(36)42/h1-27H
InChIKeyHGBXSYXLJQKERT-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-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole;3-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylcarbazole;9-phenanthren-9-yl-3-(4-triphenylen-2-ylphenyl)carbazole
CID 159219862
9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole
CID 134507293
3-(9-phenanthren-9-ylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 146848842
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
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
3-[4-[9,9-dimethyl-7-[4-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenanthren-9-ylcarbazole
CID 59236548
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158986267
9-phenanthren-9-yl-3-[4-[7'-[4-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236178

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole?
The IUPAC name of 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole (CID 88569900) is 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole.
What is the SMILES notation for 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole?
The canonical SMILES for 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole is c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc3ccccc3c3ccccc23)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole?
The InChIKey is HGBXSYXLJQKERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-3-16-33-28(11-1)13-10-21-34(33)31-15-9-14-29(25-31)30-23-24-41-39(26-30)38-20-7-8-22-40(38)43(41)42-27-32-12-2-4-17-35(32)36-18-5-6-19-37(36)42/h1-27H.
What are the key properties of 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole?
3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole 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 3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole is sourced from PubChem (CID 88569900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).