1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole

C27H17BrN2 — CID 141442655

IUPAC1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole
SMILESBrc1ccc(-n2c(-c3ccccc3)nc3c4ccc5ccccc5c4ccc32)cc1
InChIInChI=1S/C27H17BrN2/c28-20-11-13-21(14-12-20)30-25-17-16-23-22-9-5-4-6-18(22)10-15-24(23)26(25)29-27(30)19-7-2-1-3-8-19/h1-17H
InChIKeyCQOPOAGRTHBWMR-UHFFFAOYSA-N
MW449.35 g/mol
LogP7.76
Rot. Bonds2

About 1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole

1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole (PubChem CID 141442655) has the molecular formula C27H17BrN2 and a molecular weight of 449.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole
PubChem CID141442655
Molecular FormulaC27H17BrN2
Molecular Weight449.35 g/mol
Exact Mass448.06
IUPAC Name1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole
SMILESBrc1ccc(-n2c(-c3ccccc3)nc3c4ccc5ccccc5c4ccc32)cc1
InChIInChI=1S/C27H17BrN2/c28-20-11-13-21(14-12-20)30-25-17-16-23-22-9-5-4-6-18(22)10-15-24(23)26(25)29-27(30)19-7-2-1-3-8-19/h1-17H
InChIKeyCQOPOAGRTHBWMR-UHFFFAOYSA-N
XLogP7.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole
CID 138374073
2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole
CID 138374103
2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole
CID 171785865
4-(4-phenanthren-9-ylphenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498636
4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline
CID 163469536
2-(4-bromophenyl)-4-phenylbenzo[h]quinazoline;4-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 159017724
1-(2,3,4,5,6-pentadeuteriophenyl)-2-[3-[1-(2,3,4,5,6-pentadeuteriophenyl)naphtho[2,1-e]benzimidazol-2-yl]-5-[3-(2,3,4,5,6-pentadeuteriophenyl)naphtho[2,1-e]benzimidazol-2-yl]phenyl]naphtho[2,1-e]benzimidazole
CID 88865427
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 88598678
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole?
The IUPAC name of 1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole (CID 141442655) is 1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole.
What is the SMILES notation for 1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole?
The canonical SMILES for 1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole is Brc1ccc(-n2c(-c3ccccc3)nc3c4ccc5ccccc5c4ccc32)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole?
The InChIKey is CQOPOAGRTHBWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17BrN2/c28-20-11-13-21(14-12-20)30-25-17-16-23-22-9-5-4-6-18(22)10-15-24(23)26(25)29-27(30)19-7-2-1-3-8-19/h1-17H.
What are the key properties of 1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole?
1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole has a molecular weight of 449.35 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole is sourced from PubChem (CID 141442655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).