N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline

C35H35NO — CID 70841571

IUPACN-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCOc1ccc(/C=C(/C2=CC=C(N(c3ccc(C)cc3)c3ccc(C)cc3)CC2)C2C=CC=CC2)cc1
InChIInChI=1S/C35H35NO/c1-26-9-17-31(18-10-26)36(32-19-11-27(2)12-20-32)33-21-15-30(16-22-33)35(29-7-5-4-6-8-29)25-28-13-23-34(37-3)24-14-28/h4-7,9-15,17-21,23-25,29H,8,16,22H2,1-3H3/b35-25+
InChIKeyNBKHGRUXGFEBRD-KVQDIILNSA-N
MW485.67 g/mol
LogP9.27
Rot. Bonds7

About N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 70841571) has the molecular formula C35H35NO and a molecular weight of 485.67 g/mol. Its IUPAC name is N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID70841571
Molecular FormulaC35H35NO
Molecular Weight485.67 g/mol
Exact Mass485.27
IUPAC NameN-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCOc1ccc(/C=C(/C2=CC=C(N(c3ccc(C)cc3)c3ccc(C)cc3)CC2)C2C=CC=CC2)cc1
InChIInChI=1S/C35H35NO/c1-26-9-17-31(18-10-26)36(32-19-11-27(2)12-20-32)33-21-15-30(16-22-33)35(29-7-5-4-6-8-29)25-28-13-23-34(37-3)24-14-28/h4-7,9-15,17-21,23-25,29H,8,16,22H2,1-3H3/b35-25+
InChIKeyNBKHGRUXGFEBRD-KVQDIILNSA-N
XLogP9.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.67
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline (CID 70841571) is N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline is COc1ccc(/C=C(/C2=CC=C(N(c3ccc(C)cc3)c3ccc(C)cc3)CC2)C2C=CC=CC2)cc1.
What is the InChIKey of N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is NBKHGRUXGFEBRD-KVQDIILNSA-N. The full InChI is InChI=1S/C35H35NO/c1-26-9-17-31(18-10-26)36(32-19-11-27(2)12-20-32)33-21-15-30(16-22-33)35(29-7-5-4-6-8-29)25-28-13-23-34(37-3)24-14-28/h4-7,9-15,17-21,23-25,29H,8,16,22H2,1-3H3/b35-25+.
What are the key properties of N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 485.67 g/mol, XLogP of 9.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-1-cyclohexa-2,4-dien-1-yl-2-(4-methoxyphenyl)ethenyl]cyclohexa-1,3-dien-1-yl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 70841571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).