1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole

C49H30N2S — CID 118503706

IUPAC1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5sc6c7ccccc7ccc6c5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C49H30N2S/c1-2-13-33(14-3-1)49-50-43-20-10-11-21-44(43)51(49)35-26-22-32(23-27-35)46-37-16-6-8-18-39(37)47(40-19-9-7-17-38(40)46)34-25-29-45-42(30-34)41-28-24-31-12-4-5-15-36(31)48(41)52-45/h1-30H
InChIKeyKQQZWJFGYIRNOR-UHFFFAOYSA-N
MW678.86 g/mol
LogP13.85
Rot. Bonds4

About 1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole

1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 118503706) has the molecular formula C49H30N2S and a molecular weight of 678.86 g/mol. Its IUPAC name is 1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
PubChem CID118503706
Molecular FormulaC49H30N2S
Molecular Weight678.86 g/mol
Exact Mass678.21
IUPAC Name1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5sc6c7ccccc7ccc6c5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C49H30N2S/c1-2-13-33(14-3-1)49-50-43-20-10-11-21-44(43)51(49)35-26-22-32(23-27-35)46-37-16-6-8-18-39(37)47(40-19-9-7-17-38(40)46)34-25-29-45-42(30-34)41-28-24-31-12-4-5-15-36(31)48(41)52-45/h1-30H
InChIKeyKQQZWJFGYIRNOR-UHFFFAOYSA-N
XLogP13.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.86
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole;9-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole;2-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzothiole;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 158599422
8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole
CID 118503423
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-ethyl-1-[4-(10-naphtho[1,2-b][1]benzothiol-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 118503748
2-phenyl-1-[4-(12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]benzimidazole
CID 166885151
9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole
CID 163417517
2-[6-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]naphthalen-2-yl]-1-naphthalen-1-ylbenzimidazole;2-[6-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]naphthalen-2-yl]-1-(4-phenylphenyl)benzimidazole;2-[3-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)benzimidazole;2-[4-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)benzimidazole
CID 160943887
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[4-(12-phenanthren-3-ylbenzo[a]anthracen-7-yl)phenyl]-1-phenylbenzimidazole
CID 59629559
8-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzothiole
CID 122427185
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827456

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole (CID 118503706) is 1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5sc6c7ccccc7ccc6c5c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is KQQZWJFGYIRNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2S/c1-2-13-33(14-3-1)49-50-43-20-10-11-21-44(43)51(49)35-26-22-32(23-27-35)46-37-16-6-8-18-39(37)47(40-19-9-7-17-38(40)46)34-25-29-45-42(30-34)41-28-24-31-12-4-5-15-36(31)48(41)52-45/h1-30H.
What are the key properties of 1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole?
1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 678.86 g/mol, XLogP of 13.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 118503706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).