4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline

C25H22N2 — CID 143438004

IUPAC4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline
SMILESC=Cc1c(/C=C\C)n(-c2ccc(Nc3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C25H22N2/c1-3-10-24-22(4-2)23-13-8-9-14-25(23)27(24)21-17-15-20(16-18-21)26-19-11-6-5-7-12-19/h3-18,26H,2H2,1H3/b10-3-
InChIKeyDPOVMPJZRROJJH-KMKOMSMNSA-N
MW350.47 g/mol
LogP7.05
Rot. Bonds5

About 4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline

4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline (PubChem CID 143438004) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline.

Molecular Properties

Compound Name4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline
PubChem CID143438004
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline
SMILESC=Cc1c(/C=C\C)n(-c2ccc(Nc3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C25H22N2/c1-3-10-24-22(4-2)23-13-8-9-14-25(23)27(24)21-17-15-20(16-18-21)26-19-11-6-5-7-12-19/h3-18,26H,2H2,1H3/b10-3-
InChIKeyDPOVMPJZRROJJH-KMKOMSMNSA-N
XLogP7.05
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
CID 144919540
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
4-N-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 137384769
3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole
CID 138672161
2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 135160706
[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
CID 167453480
ethene;2-methyl-N,1-diphenyl-3-[(Z)-prop-1-enyl]indol-5-amine
CID 143402088
4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-9-methylcarbazole
CID 134240129
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline
CID 145258799
N-[4-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]phenyl]-N,4-diphenylaniline
CID 170106811

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline?
The IUPAC name of 4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline (CID 143438004) is 4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline.
What is the SMILES notation for 4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline?
The canonical SMILES for 4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline is C=Cc1c(/C=C\C)n(-c2ccc(Nc3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline?
The InChIKey is DPOVMPJZRROJJH-KMKOMSMNSA-N. The full InChI is InChI=1S/C25H22N2/c1-3-10-24-22(4-2)23-13-8-9-14-25(23)27(24)21-17-15-20(16-18-21)26-19-11-6-5-7-12-19/h3-18,26H,2H2,1H3/b10-3-.
What are the key properties of 4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline?
4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline has a molecular weight of 350.47 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline is sourced from PubChem (CID 143438004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).