3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine

C20H18N2 — CID 91560764

IUPAC3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine
SMILESC=c1cc(Nc2ccccc2)c(=C)cc1Nc1ccccc1
InChIInChI=1S/C20H18N2/c1-15-13-20(22-18-11-7-4-8-12-18)16(2)14-19(15)21-17-9-5-3-6-10-17/h3-14,21-22H,1-2H2
InChIKeyYZEDWXVKHMBYMX-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.99
Rot. Bonds4

About 3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine

3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine (PubChem CID 91560764) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine.

Molecular Properties

Compound Name3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine
PubChem CID91560764
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine
SMILESC=c1cc(Nc2ccccc2)c(=C)cc1Nc1ccccc1
InChIInChI=1S/C20H18N2/c1-15-13-20(22-18-11-7-4-8-12-18)16(2)14-19(15)21-17-9-5-3-6-10-17/h3-14,21-22H,1-2H2
InChIKeyYZEDWXVKHMBYMX-UHFFFAOYSA-N
XLogP3.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
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2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine
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2,3,4,5-tetrabromo-N-phenylaniline
CID 101290824
benzene;N,2-diphenylaniline
CID 175029921
2-methanidyl-N-phenylaniline;tetrakis(yttrium)
CID 59026767
N-phenylaniline;prop-2-enoic acid
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1,1-difluoroethene;N-phenylaniline
CID 175173437

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine?
The IUPAC name of 3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine (CID 91560764) is 3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine.
What is the SMILES notation for 3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine?
The canonical SMILES for 3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine is C=c1cc(Nc2ccccc2)c(=C)cc1Nc1ccccc1.
What is the InChIKey of 3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine?
The InChIKey is YZEDWXVKHMBYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c1-15-13-20(22-18-11-7-4-8-12-18)16(2)14-19(15)21-17-9-5-3-6-10-17/h3-14,21-22H,1-2H2.
What are the key properties of 3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine?
3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine is sourced from PubChem (CID 91560764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).