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

C27H17ClN2 — CID 138374073

IUPAC2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole
SMILESClc1ccc(-c2nc3c4ccc5ccccc5c4ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C27H17ClN2/c28-20-13-10-19(11-14-20)27-29-26-24-15-12-18-6-4-5-9-22(18)23(24)16-17-25(26)30(27)21-7-2-1-3-8-21/h1-17H
InChIKeyLYCSVACLQUSDAW-UHFFFAOYSA-N
MW404.90 g/mol
LogP7.65
Rot. Bonds2

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

2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole (PubChem CID 138374073) has the molecular formula C27H17ClN2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole
PubChem CID138374073
Molecular FormulaC27H17ClN2
Molecular Weight404.90 g/mol
Exact Mass404.11
IUPAC Name2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole
SMILESClc1ccc(-c2nc3c4ccc5ccccc5c4ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C27H17ClN2/c28-20-13-10-19(11-14-20)27-29-26-24-15-12-18-6-4-5-9-22(18)23(24)16-17-25(26)30(27)21-7-2-1-3-8-21/h1-17H
InChIKeyLYCSVACLQUSDAW-UHFFFAOYSA-N
XLogP7.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole
CID 141442655
2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole
CID 138374103
4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline
CID 163469536
4-(4-phenanthren-9-ylphenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498636
14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene
CID 3804790
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142
N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
CID 122424886
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
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-diphenylnaphtho[1,2-e]benzimidazole
CID 138746198
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
2-[4-(12-phenanthren-3-ylbenzo[a]anthracen-7-yl)phenyl]-1-phenylbenzimidazole
CID 59629559
4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498588

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole (CID 138374073) is 2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole is Clc1ccc(-c2nc3c4ccc5ccccc5c4ccc3n2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole?
The InChIKey is LYCSVACLQUSDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17ClN2/c28-20-13-10-19(11-14-20)27-29-26-24-15-12-18-6-4-5-9-22(18)23(24)16-17-25(26)30(27)21-7-2-1-3-8-21/h1-17H.
What are the key properties of 2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole?
2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole has a molecular weight of 404.90 g/mol, XLogP of 7.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole is sourced from PubChem (CID 138374073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).