2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole

C34H24N2 — CID 166656592

IUPAC2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole
SMILESCc1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccccc2c2ccccc12
InChIInChI=1S/C34H24N2/c1-23-27-13-5-6-14-28(27)29-15-7-8-16-30(29)33(23)24-19-21-25(22-20-24)34-35-31-17-9-10-18-32(31)36(34)26-11-3-2-4-12-26/h2-22H,1H3
InChIKeyGBAMBJXQOJGQCD-UHFFFAOYSA-N
MW460.58 g/mol
LogP8.97
Rot. Bonds3

About 2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole

2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 166656592) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole
PubChem CID166656592
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole
SMILESCc1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccccc2c2ccccc12
InChIInChI=1S/C34H24N2/c1-23-27-13-5-6-14-28(27)29-15-7-8-16-30(29)33(23)24-19-21-25(22-20-24)34-35-31-17-9-10-18-32(31)36(34)26-11-3-2-4-12-26/h2-22H,1H3
InChIKeyGBAMBJXQOJGQCD-UHFFFAOYSA-N
XLogP8.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.97
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

2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58876120
5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline
CID 59182934
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
1-(1-methylpyridin-1-ium-4-yl)-2-[4-[10-(1-methylpyridin-1-ium-4-yl)anthracen-9-yl]phenyl]benzimidazole
CID 123592468
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
2-[4-(10-phenylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
CID 122578272
1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
CID 58876083

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole (CID 166656592) is 2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole is Cc1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccccc2c2ccccc12.
What is the InChIKey of 2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is GBAMBJXQOJGQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-23-27-13-5-6-14-28(27)29-15-7-8-16-30(29)33(23)24-19-21-25(22-20-24)34-35-31-17-9-10-18-32(31)36(34)26-11-3-2-4-12-26/h2-22H,1H3.
What are the key properties of 2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole?
2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 460.58 g/mol, XLogP of 8.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 166656592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).