3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole

C40H31N5 — CID 170061747

IUPAC3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole
SMILESc1ccc(C2=NC(c3cccc(-c4ccccc4)c3)N=C(c3cccc(C4Nc5ccccc5N4c4ccccc4)c3)N2)cc1
InChIInChI=1S/C40H31N5/c1-4-14-28(15-5-1)30-18-12-19-31(26-30)38-42-37(29-16-6-2-7-17-29)43-39(44-38)32-20-13-21-33(27-32)40-41-35-24-10-11-25-36(35)45(40)34-22-8-3-9-23-34/h1-27,38,40-41H,(H,42,43,44)
InChIKeyHECNVKZXTZNXJC-UHFFFAOYSA-N
MW581.72 g/mol
LogP9.11
Rot. Bonds6

About 3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole

3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole (PubChem CID 170061747) has the molecular formula C40H31N5 and a molecular weight of 581.72 g/mol. Its IUPAC name is 3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole
PubChem CID170061747
Molecular FormulaC40H31N5
Molecular Weight581.72 g/mol
Exact Mass581.26
IUPAC Name3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole
SMILESc1ccc(C2=NC(c3cccc(-c4ccccc4)c3)N=C(c3cccc(C4Nc5ccccc5N4c4ccccc4)c3)N2)cc1
InChIInChI=1S/C40H31N5/c1-4-14-28(15-5-1)30-18-12-19-31(26-30)38-42-37(29-16-6-2-7-17-29)43-39(44-38)32-20-13-21-33(27-32)40-41-35-24-10-11-25-36(35)45(40)34-22-8-3-9-23-34/h1-27,38,40-41H,(H,42,43,44)
InChIKeyHECNVKZXTZNXJC-UHFFFAOYSA-N
XLogP9.11
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.72
LogP ≤ 59.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole 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

2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
3-phenyl-2-[3-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-5-[4-phenyl-2-(3-phenylphenyl)-2H-azet-1-yl]phenyl]-1,2-dihydrobenzimidazole
CID 170071803
3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole
CID 89222158
10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263303
2-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 146413990
3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole
CID 130241480
3-phenyl-2-[3-[6-phenyl-2-[3-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]-1,2-dihydrobenzimidazole
CID 170065922
2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263672
2'-[3-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263428
12-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163536905
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole
CID 70920417
4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline
CID 122424894

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole?
The IUPAC name of 3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole (CID 170061747) is 3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole is c1ccc(C2=NC(c3cccc(-c4ccccc4)c3)N=C(c3cccc(C4Nc5ccccc5N4c4ccccc4)c3)N2)cc1.
What is the InChIKey of 3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole?
The InChIKey is HECNVKZXTZNXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N5/c1-4-14-28(15-5-1)30-18-12-19-31(26-30)38-42-37(29-16-6-2-7-17-29)43-39(44-38)32-20-13-21-33(27-32)40-41-35-24-10-11-25-36(35)45(40)34-22-8-3-9-23-34/h1-27,38,40-41H,(H,42,43,44).
What are the key properties of 3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole?
3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole has a molecular weight of 581.72 g/mol, XLogP of 9.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole is sourced from PubChem (CID 170061747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).