2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole

C43H30N2 — CID 155106058

IUPAC2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
SMILESC1=C(c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)CCc2ccccc21
InChIInChI=1S/C43H30N2/c1-2-14-34(15-3-1)45-40-21-11-10-20-39(40)44-43(45)31-25-23-30(24-26-31)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-27-22-29-12-4-5-13-32(29)28-33/h1-21,23-26,28H,22,27H2
InChIKeyMJMLVTZOWBIXFE-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.15
Rot. Bonds4

About 2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole

2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 155106058) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
PubChem CID155106058
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
SMILESC1=C(c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)CCc2ccccc21
InChIInChI=1S/C43H30N2/c1-2-14-34(15-3-1)45-40-21-11-10-20-39(40)44-43(45)31-25-23-30(24-26-31)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-27-22-29-12-4-5-13-32(29)28-33/h1-21,23-26,28H,22,27H2
InChIKeyMJMLVTZOWBIXFE-UHFFFAOYSA-N
XLogP11.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 130184277
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole
CID 166656592
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline
CID 59182934
2-[4-(12-phenanthren-3-ylbenzo[a]anthracen-7-yl)phenyl]-1-phenylbenzimidazole
CID 59629559
2-[4-(10-phenylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
CID 122578272
N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]-3-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]aniline
CID 58963329

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole (CID 155106058) is 2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole is C1=C(c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)CCc2ccccc21.
What is the InChIKey of 2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole?
The InChIKey is MJMLVTZOWBIXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-2-14-34(15-3-1)45-40-21-11-10-20-39(40)44-43(45)31-25-23-30(24-26-31)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-27-22-29-12-4-5-13-32(29)28-33/h1-21,23-26,28H,22,27H2.
What are the key properties of 2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole?
2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 574.73 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 155106058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).