1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole

C43H30N2 — CID 88908967

IUPAC1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
SMILESC1=CC2=CC=C(c3c4ccccc4c(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4ccccc34)CC2C=C1
InChIInChI=1S/C43H30N2/c1-2-13-31(14-3-1)43-44-39-20-10-11-21-40(39)45(43)34-26-24-30(25-27-34)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-23-22-29-12-4-5-15-32(29)28-33/h1-27,32H,28H2
InChIKeyQAVYNMHTYFEWBT-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.12
Rot. Bonds4

About 1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole

1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole (PubChem CID 88908967) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
PubChem CID88908967
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
SMILESC1=CC2=CC=C(c3c4ccccc4c(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4ccccc34)CC2C=C1
InChIInChI=1S/C43H30N2/c1-2-13-31(14-3-1)43-44-39-20-10-11-21-40(39)45(43)34-26-24-30(25-27-34)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-23-22-29-12-4-5-15-32(29)28-33/h1-27,32H,28H2
InChIKeyQAVYNMHTYFEWBT-UHFFFAOYSA-N
XLogP11.12
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 ≤ 511.12
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

1-phenyl-2-[9-phenyl-10-(4-phenylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]benzimidazole
CID 130184277
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
2-[9-[(1R)-cyclohexa-2,4-dien-1-yl]-10-(4-phenylphenyl)anthracen-2-yl]-1-phenylbenzimidazole
CID 155064850
2-(2,3,4,5,6-pentadeuteriophenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 169070140
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827456
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-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953790
2-[4-[10-(3,4-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 155106058
2-[4-(10-phenylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
CID 122578272

Frequently Asked Questions

What is the IUPAC name of 1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole (CID 88908967) is 1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole is C1=CC2=CC=C(c3c4ccccc4c(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4ccccc34)CC2C=C1.
What is the InChIKey of 1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole?
The InChIKey is QAVYNMHTYFEWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-2-13-31(14-3-1)43-44-39-20-10-11-21-40(39)45(43)34-26-24-30(25-27-34)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-23-22-29-12-4-5-15-32(29)28-33/h1-27,32H,28H2.
What are the key properties of 1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole?
1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole has a molecular weight of 574.73 g/mol, XLogP of 11.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 88908967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).