N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline

C35H27N3 — CID 21357057

IUPACN-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline
SMILESC(=C/c1nc2ccccc2n1-c1ccccc1)\c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H27N3/c1-4-12-30(13-5-1)37(31-14-6-2-7-15-31)27-26-29-22-20-28(21-23-29)24-25-35-36-33-18-10-11-19-34(33)38(35)32-16-8-3-9-17-32/h1-27H/b25-24+,27-26+
InChIKeyJINFGJWTKRHXCK-JQRDNDPDSA-N
MW489.62 g/mol
LogP9.00
Rot. Bonds7

About N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline

N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline (PubChem CID 21357057) has the molecular formula C35H27N3 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline
PubChem CID21357057
Molecular FormulaC35H27N3
Molecular Weight489.62 g/mol
Exact Mass489.22
IUPAC NameN-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline
SMILESC(=C/c1nc2ccccc2n1-c1ccccc1)\c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H27N3/c1-4-12-30(13-5-1)37(31-14-6-2-7-15-31)27-26-29-22-20-28(21-23-29)24-25-35-36-33-18-10-11-19-34(33)38(35)32-16-8-3-9-17-32/h1-27H/b25-24+,27-26+
InChIKeyJINFGJWTKRHXCK-JQRDNDPDSA-N
XLogP9.00
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
CID 3304357
1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 11702687
4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline
CID 170794695
N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine
CID 74013981
1-phenyl-2-[(E)-2-pyridin-3-ylethenyl]benzimidazole
CID 67621656
5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole
CID 54183836
1-phenyl-2-(2-phenylprop-1-enyl)benzimidazole
CID 67620863
N-[4-[2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 74013976
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
CID 22736649
2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole
CID 51350635
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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline?
The IUPAC name of N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline (CID 21357057) is N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline.
What is the SMILES notation for N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline?
The canonical SMILES for N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline is C(=C/c1nc2ccccc2n1-c1ccccc1)\c1ccc(/C=C/N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline?
The InChIKey is JINFGJWTKRHXCK-JQRDNDPDSA-N. The full InChI is InChI=1S/C35H27N3/c1-4-12-30(13-5-1)37(31-14-6-2-7-15-31)27-26-29-22-20-28(21-23-29)24-25-35-36-33-18-10-11-19-34(33)38(35)32-16-8-3-9-17-32/h1-27H/b25-24+,27-26+.
What are the key properties of N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline?
N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline has a molecular weight of 489.62 g/mol, XLogP of 9.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline is sourced from PubChem (CID 21357057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).