N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline

C38H34N2 — CID 123754936

IUPACN-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(c1ccc(C=Cc2ccc3c(c2)c(C)c(C)n3-c2ccccc2)cc1)c1ccccc1C
InChIInChI=1S/C38H34N2/c1-27-12-8-10-16-36(27)40(37-17-11-9-13-28(37)2)34-23-20-31(21-24-34)18-19-32-22-25-38-35(26-32)29(3)30(4)39(38)33-14-6-5-7-15-33/h5-26H,1-4H3
InChIKeyHZTVGZYTGLBLLY-UHFFFAOYSA-N
MW518.70 g/mol
LogP10.50
Rot. Bonds6

About N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline

N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline (PubChem CID 123754936) has the molecular formula C38H34N2 and a molecular weight of 518.70 g/mol. Its IUPAC name is N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
PubChem CID123754936
Molecular FormulaC38H34N2
Molecular Weight518.70 g/mol
Exact Mass518.27
IUPAC NameN-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(c1ccc(C=Cc2ccc3c(c2)c(C)c(C)n3-c2ccccc2)cc1)c1ccccc1C
InChIInChI=1S/C38H34N2/c1-27-12-8-10-16-36(27)40(37-17-11-9-13-28(37)2)34-23-20-31(21-24-34)18-19-32-22-25-38-35(26-32)29(3)30(4)39(38)33-14-6-5-7-15-33/h5-26H,1-4H3
InChIKeyHZTVGZYTGLBLLY-UHFFFAOYSA-N
XLogP10.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline
CID 89408801
2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 89074819
N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine
CID 89408825
9-N,15-N-bis(2-methylphenyl)-9-N,15-N,12-triphenyl-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-9,15-diamine
CID 153487432
N-[4-[2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylphenanthren-9-amine
CID 91078123
9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89068124
N-(2-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]phenanthren-9-amine
CID 91467214
N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59184226
2,3-dimethyl-1-phenylindole-5-thiol
CID 143543300
6-ethyl-N-[4-[(E)-2-[4-(N-(6-ethyl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;bis(6-methyl-N-[4-[(E)-2-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine)
CID 159236150
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine
CID 89068089

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline?
The IUPAC name of N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline (CID 123754936) is N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline?
The canonical SMILES for N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline is Cc1ccccc1N(c1ccc(C=Cc2ccc3c(c2)c(C)c(C)n3-c2ccccc2)cc1)c1ccccc1C.
What is the InChIKey of N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline?
The InChIKey is HZTVGZYTGLBLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2/c1-27-12-8-10-16-36(27)40(37-17-11-9-13-28(37)2)34-23-20-31(21-24-34)18-19-32-22-25-38-35(26-32)29(3)30(4)39(38)33-14-6-5-7-15-33/h5-26H,1-4H3.
What are the key properties of N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline?
N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline has a molecular weight of 518.70 g/mol, XLogP of 10.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 123754936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).