(Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine

C29H30N2 — CID 145334347

IUPAC(Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine
SMILESCN/C(=C\C(NC)c1ccc(-c2ccccc2)cc1)C1=CC=C(c2ccccc2)CC1
InChIInChI=1S/C29H30N2/c1-30-28(26-17-13-24(14-18-26)22-9-5-3-6-10-22)21-29(31-2)27-19-15-25(16-20-27)23-11-7-4-8-12-23/h3-15,17-19,21,28,30-31H,16,20H2,1-2H3/b29-21-
InChIKeyWQJRPQCINLPZCP-ANYBSYGZSA-N
MW406.57 g/mol
LogP6.52
Rot. Bonds7

About (Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine

(Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine (PubChem CID 145334347) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is (Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine
PubChem CID145334347
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name(Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine
SMILESCN/C(=C\C(NC)c1ccc(-c2ccccc2)cc1)C1=CC=C(c2ccccc2)CC1
InChIInChI=1S/C29H30N2/c1-30-28(26-17-13-24(14-18-26)22-9-5-3-6-10-22)21-29(31-2)27-19-15-25(16-20-27)23-11-7-4-8-12-23/h3-15,17-19,21,28,30-31H,16,20H2,1-2H3/b29-21-
InChIKeyWQJRPQCINLPZCP-ANYBSYGZSA-N
XLogP6.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116954169
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[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)anilino]phenyl]boronic acid
CID 174140816
4-(methylamino)-4-(4-phenylphenyl)butan-1-ol
CID 116952947
2-cyclopropyl-N-methyl-1-(4-phenylphenyl)propan-1-amine
CID 83154674
1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine
CID 155571905
(Z)-1-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-2-yl]-5-methylphenyl]-N-methyl-3-(methylideneamino)-3-(4-phenylphenyl)prop-2-en-1-amine
CID 145373782
methyl 2-chloro-2-(4-phenylphenyl)acetate
CID 55048098

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine (CID 145334347) is (Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine is CN/C(=C\C(NC)c1ccc(-c2ccccc2)cc1)C1=CC=C(c2ccccc2)CC1.
What is the InChIKey of (Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine?
The InChIKey is WQJRPQCINLPZCP-ANYBSYGZSA-N. The full InChI is InChI=1S/C29H30N2/c1-30-28(26-17-13-24(14-18-26)22-9-5-3-6-10-22)21-29(31-2)27-19-15-25(16-20-27)23-11-7-4-8-12-23/h3-15,17-19,21,28,30-31H,16,20H2,1-2H3/b29-21-.
What are the key properties of (Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine?
(Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine has a molecular weight of 406.57 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 145334347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).