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

C45H30N2 — CID 20771538

IUPAC2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1
InChIInChI=1S/C45H30N2/c1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36/h1-30H
InChIKeyHYHGNUIIMUDPLD-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.00
Rot. Bonds5

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

2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 20771538) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
PubChem CID20771538
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1
InChIInChI=1S/C45H30N2/c1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36/h1-30H
InChIKeyHYHGNUIIMUDPLD-UHFFFAOYSA-N
XLogP12.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.00
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-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
5-[4-[6-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 58953757
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
1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953790
4-[4-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 58037935

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole (CID 20771538) is 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1.
What is the InChIKey of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is HYHGNUIIMUDPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36/h1-30H.
What are the key properties of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole?
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 598.75 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 20771538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).