2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole

C37H24N2 — CID 170236367

IUPAC2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)nc3ccccc32)cc1
InChIInChI=1S/C37H24N2/c1-2-15-26(16-3-1)39-34-24-11-10-23-33(34)38-37(39)36-31-20-8-6-18-29(31)35(30-19-7-9-21-32(30)36)28-22-12-14-25-13-4-5-17-27(25)28/h1-24H
InChIKeyBTJWHSAKTYOUAP-UHFFFAOYSA-N
MW496.61 g/mol
LogP9.82
Rot. Bonds3

About 2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole

2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole (PubChem CID 170236367) has the molecular formula C37H24N2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole
PubChem CID170236367
Molecular FormulaC37H24N2
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC Name2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)nc3ccccc32)cc1
InChIInChI=1S/C37H24N2/c1-2-15-26(16-3-1)39-34-24-11-10-23-33(34)38-37(39)36-31-20-8-6-18-29(31)35(30-19-7-9-21-32(30)36)28-22-12-14-25-13-4-5-17-27(25)28/h1-24H
InChIKeyBTJWHSAKTYOUAP-UHFFFAOYSA-N
XLogP9.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169071034
2-[2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole
CID 169070179
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
2-(10-benzo[a]anthracen-6-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 59412815
2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole
CID 169071852
2-[10-[4-(6-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-1-phenylbenzimidazole
CID 167411507
2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole
CID 118604213
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306
1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 148932878
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole?
The IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole (CID 170236367) is 2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole.
What is the SMILES notation for 2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole?
The canonical SMILES for 2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole is c1ccc(-n2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)nc3ccccc32)cc1.
What is the InChIKey of 2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole?
The InChIKey is BTJWHSAKTYOUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2/c1-2-15-26(16-3-1)39-34-24-11-10-23-33(34)38-37(39)36-31-20-8-6-18-29(31)35(30-19-7-9-21-32(30)36)28-22-12-14-25-13-4-5-17-27(25)28/h1-24H.
What are the key properties of 2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole?
2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole has a molecular weight of 496.61 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole is sourced from PubChem (CID 170236367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).