N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline

C55H41N3 — CID 58470938

IUPACN-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline
SMILESC=C/C(=C\C=C\N(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H41N3/c1-2-41(15-14-40-57(50-16-6-3-7-17-50)51-18-8-4-9-19-51)42-24-26-43(27-25-42)44-28-30-45(31-29-44)46-32-34-47(35-33-46)48-36-38-49(39-37-48)55-56-53-22-12-13-23-54(53)58(55)52-20-10-5-11-21-52/h2-40H,1H2/b40-14+,41-15+
InChIKeyPRDVXIHHJKEXCD-AIQTUGPHSA-N
MW743.95 g/mol
LogP14.61
Rot. Bonds11

About N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline

N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline (PubChem CID 58470938) has the molecular formula C55H41N3 and a molecular weight of 743.95 g/mol. Its IUPAC name is N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline
PubChem CID58470938
Molecular FormulaC55H41N3
Molecular Weight743.95 g/mol
Exact Mass743.33
IUPAC NameN-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline
SMILESC=C/C(=C\C=C\N(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H41N3/c1-2-41(15-14-40-57(50-16-6-3-7-17-50)51-18-8-4-9-19-51)42-24-26-43(27-25-42)44-28-30-45(31-29-44)46-32-34-47(35-33-46)48-36-38-49(39-37-48)55-56-53-22-12-13-23-54(53)58(55)52-20-10-5-11-21-52/h2-40H,1H2/b40-14+,41-15+
InChIKeyPRDVXIHHJKEXCD-AIQTUGPHSA-N
XLogP14.61
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline 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-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 58569569
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 163796534
4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid
CID 57424060
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
CID 155473648

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline?
The IUPAC name of N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline (CID 58470938) is N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline.
What is the SMILES notation for N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline?
The canonical SMILES for N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline is C=C/C(=C\C=C\N(c1ccccc1)c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline?
The InChIKey is PRDVXIHHJKEXCD-AIQTUGPHSA-N. The full InChI is InChI=1S/C55H41N3/c1-2-41(15-14-40-57(50-16-6-3-7-17-50)51-18-8-4-9-19-51)42-24-26-43(27-25-42)44-28-30-45(31-29-44)46-32-34-47(35-33-46)48-36-38-49(39-37-48)55-56-53-22-12-13-23-54(53)58(55)52-20-10-5-11-21-52/h2-40H,1H2/b40-14+,41-15+.
What are the key properties of N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline?
N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline has a molecular weight of 743.95 g/mol, XLogP of 14.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[(1E,3E)-4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]hexa-1,3,5-trienyl]aniline is sourced from PubChem (CID 58470938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).