1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole

C51H32N2 — CID 170236310

IUPAC1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
SMILESc1ccc2c(-n3c(-c4ccc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)cc4)nc4ccccc43)cccc2c1
InChIInChI=1S/C51H32N2/c1-4-18-38-33(14-1)16-13-27-47(38)53-48-26-12-11-25-46(48)52-51(53)35-30-28-34(29-31-35)49-41-21-7-9-23-43(41)50(44-24-10-8-22-42(44)49)45-32-36-15-2-3-17-37(36)39-19-5-6-20-40(39)45/h1-32H
InChIKeyYZTYBMLVHIDOJG-UHFFFAOYSA-N
MW672.83 g/mol
LogP13.79
Rot. Bonds4

About 1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole

1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole (PubChem CID 170236310) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
PubChem CID170236310
Molecular FormulaC51H32N2
Molecular Weight672.83 g/mol
Exact Mass672.26
IUPAC Name1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
SMILESc1ccc2c(-n3c(-c4ccc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)cc4)nc4ccccc43)cccc2c1
InChIInChI=1S/C51H32N2/c1-4-18-38-33(14-1)16-13-27-47(38)53-48-26-12-11-25-46(48)52-51(53)35-30-28-34(29-31-35)49-41-21-7-9-23-43(41)50(44-24-10-8-22-42(44)49)45-32-36-15-2-3-17-37(36)39-19-5-6-20-40(39)45/h1-32H
InChIKeyYZTYBMLVHIDOJG-UHFFFAOYSA-N
XLogP13.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-1-naphthalen-1-ylbenzimidazole
CID 170236221
1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 148932878
2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole
CID 155333469
1-naphthalen-1-yl-2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 169070654
2-methyl-1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 58898396
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 166509851
2-[4-[10-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 167410752
2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 169070496
2-[6-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]naphthalen-2-yl]-1-naphthalen-1-ylbenzimidazole;2-[6-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]naphthalen-2-yl]-1-(4-phenylphenyl)benzimidazole;2-[3-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)benzimidazole;2-[4-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)benzimidazole
CID 160943887
CID 174118594
CID 174118594
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole
CID 59010615
1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 59412495

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole?
The IUPAC name of 1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole (CID 170236310) is 1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole?
The canonical SMILES for 1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole is c1ccc2c(-n3c(-c4ccc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)cc4)nc4ccccc43)cccc2c1.
What is the InChIKey of 1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole?
The InChIKey is YZTYBMLVHIDOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c1-4-18-38-33(14-1)16-13-27-47(38)53-48-26-12-11-25-46(48)52-51(53)35-30-28-34(29-31-35)49-41-21-7-9-23-43(41)50(44-24-10-8-22-42(44)49)45-32-36-15-2-3-17-37(36)39-19-5-6-20-40(39)45/h1-32H.
What are the key properties of 1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole?
1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole has a molecular weight of 672.83 g/mol, XLogP of 13.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole is sourced from PubChem (CID 170236310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).