N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline

C29H29NO2 — CID 89020124

IUPACN,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline
SMILESCOc1ccc(N(c2ccc(/C=C/C3=CCC(C)C=C3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H29NO2/c1-22-4-6-23(7-5-22)8-9-24-10-12-25(13-11-24)30(26-14-18-28(31-2)19-15-26)27-16-20-29(32-3)21-17-27/h4,6-22H,5H2,1-3H3/b9-8+
InChIKeyDFSJFHZRZYXBRY-CMDGGOBGSA-N
MW423.56 g/mol
LogP7.71
Rot. Bonds7

About N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline

N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline (PubChem CID 89020124) has the molecular formula C29H29NO2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline
PubChem CID89020124
Molecular FormulaC29H29NO2
Molecular Weight423.56 g/mol
Exact Mass423.22
IUPAC NameN,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline
SMILESCOc1ccc(N(c2ccc(/C=C/C3=CCC(C)C=C3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H29NO2/c1-22-4-6-23(7-5-22)8-9-24-10-12-25(13-11-24)30(26-14-18-28(31-2)19-15-26)27-16-20-29(32-3)21-17-27/h4,6-22H,5H2,1-3H3/b9-8+
InChIKeyDFSJFHZRZYXBRY-CMDGGOBGSA-N
XLogP7.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline
CID 71179678
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 174767266
4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline
CID 143254565
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-[(E)-2-[5-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 101398325
4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline
CID 166542453
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504
4-[(E)-2-[4-[4-(N-[4-(aziridin-2-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]ethenyl]-N,N-diphenylaniline
CID 89164021
N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[N-(4-methoxyphenyl)-4-[4-[3-(4-methoxyphenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)propyl]phenyl]anilino]phenyl]anilino]phenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
CID 123317233

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline?
The IUPAC name of N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline (CID 89020124) is N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline.
What is the SMILES notation for N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline?
The canonical SMILES for N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline is COc1ccc(N(c2ccc(/C=C/C3=CCC(C)C=C3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline?
The InChIKey is DFSJFHZRZYXBRY-CMDGGOBGSA-N. The full InChI is InChI=1S/C29H29NO2/c1-22-4-6-23(7-5-22)8-9-24-10-12-25(13-11-24)30(26-14-18-28(31-2)19-15-26)27-16-20-29(32-3)21-17-27/h4,6-22H,5H2,1-3H3/b9-8+.
What are the key properties of N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline?
N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline has a molecular weight of 423.56 g/mol, XLogP of 7.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline is sourced from PubChem (CID 89020124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).