2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole

C29H22N2O2 — CID 138374103

IUPAC2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole
SMILESCOc1ccc(-c2nc3c4ccc5ccccc5c4ccc3n2-c2ccccc2)cc1OC
InChIInChI=1S/C29H22N2O2/c1-32-26-17-13-20(18-27(26)33-2)29-30-28-24-14-12-19-8-6-7-11-22(19)23(24)15-16-25(28)31(29)21-9-4-3-5-10-21/h3-18H,1-2H3
InChIKeySTBZODRJAQSPRB-UHFFFAOYSA-N
MW430.51 g/mol
LogP7.02
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole

2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole (PubChem CID 138374103) has the molecular formula C29H22N2O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole
PubChem CID138374103
Molecular FormulaC29H22N2O2
Molecular Weight430.51 g/mol
Exact Mass430.17
IUPAC Name2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole
SMILESCOc1ccc(-c2nc3c4ccc5ccccc5c4ccc3n2-c2ccccc2)cc1OC
InChIInChI=1S/C29H22N2O2/c1-32-26-17-13-20(18-27(26)33-2)29-30-28-24-14-12-19-8-6-7-11-22(19)23(24)15-16-25(28)31(29)21-9-4-3-5-10-21/h3-18H,1-2H3
InChIKeySTBZODRJAQSPRB-UHFFFAOYSA-N
XLogP7.02
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole
CID 138374073
1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole
CID 141442655
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
CID 58526346
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
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
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 177077207
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-diphenylnaphtho[1,2-e]benzimidazole
CID 138746198
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole (CID 138374103) is 2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole is COc1ccc(-c2nc3c4ccc5ccccc5c4ccc3n2-c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole?
The InChIKey is STBZODRJAQSPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O2/c1-32-26-17-13-20(18-27(26)33-2)29-30-28-24-14-12-19-8-6-7-11-22(19)23(24)15-16-25(28)31(29)21-9-4-3-5-10-21/h3-18H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole?
2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole has a molecular weight of 430.51 g/mol, XLogP of 7.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole is sourced from PubChem (CID 138374103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).