9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole

C28H18N2O2 — CID 121299787

IUPAC9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole
SMILESO=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc2ccccc12
InChIInChI=1S/C28H18N2O2/c31-30(32)28-17-16-20(18-25(28)22-13-7-9-19-8-1-2-10-21(19)22)29-26-14-5-3-11-23(26)24-12-4-6-15-27(24)29/h1-18H
InChIKeyVJUFKAYPZZFQOE-UHFFFAOYSA-N
MW414.46 g/mol
LogP7.51
Rot. Bonds3

About 9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole

9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole (PubChem CID 121299787) has the molecular formula C28H18N2O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole.

Molecular Properties

Compound Name9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole
PubChem CID121299787
Molecular FormulaC28H18N2O2
Molecular Weight414.46 g/mol
Exact Mass414.14
IUPAC Name9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole
SMILESO=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc2ccccc12
InChIInChI=1S/C28H18N2O2/c31-30(32)28-17-16-20(18-25(28)22-13-7-9-19-8-1-2-10-21(19)22)29-26-14-5-3-11-23(26)24-12-4-6-15-27(24)29/h1-18H
InChIKeyVJUFKAYPZZFQOE-UHFFFAOYSA-N
XLogP7.51
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-carbazol-9-yl-2-[4-(5-carbazol-9-yl-2-nitrophenyl)-2,5-difluorophenyl]phenol
CID 59146926
1-(5-fluoro-2-nitrophenyl)naphthalene
CID 121246133
4-(5-bromo-2-nitrophenyl)-9-triphenylen-2-ylcarbazole
CID 178110346
4-(8-nitronaphthalen-1-yl)-9-phenylcarbazole
CID 142725520
1-naphthalen-1-yl-2,5-bis(2-nitrophenyl)pyrrole
CID 141232861
9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole
CID 140923114
2-(3-carbazol-9-ylphenyl)-9-(4-naphthalen-1-ylphenyl)carbazole
CID 144560197
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole
CID 59220010
4-(5-bromo-2-nitrophenyl)-9-(2-phenylphenyl)carbazole
CID 178110484
5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole
CID 134168708
3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398

Frequently Asked Questions

What is the IUPAC name of 9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole?
The IUPAC name of 9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole (CID 121299787) is 9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole.
What is the SMILES notation for 9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole?
The canonical SMILES for 9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole is O=[N+]([O-])c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc2ccccc12.
What is the InChIKey of 9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole?
The InChIKey is VJUFKAYPZZFQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O2/c31-30(32)28-17-16-20(18-25(28)22-13-7-9-19-8-1-2-10-21(19)22)29-26-14-5-3-11-23(26)24-12-4-6-15-27(24)29/h1-18H.
What are the key properties of 9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole?
9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole has a molecular weight of 414.46 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole is sourced from PubChem (CID 121299787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).