N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline

C34H42N2 — CID 176655062

IUPACN-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline
SMILESCC1=CCC(C)(Nc2ccccc2C2(c3ccccc3NC3(C)C=CC(C)=CC3)CCCCC2)C=C1
InChIInChI=1S/C34H42N2/c1-26-16-22-32(3,23-17-26)35-30-14-8-6-12-28(30)34(20-10-5-11-21-34)29-13-7-9-15-31(29)36-33(4)24-18-27(2)19-25-33/h6-9,12-19,22,24,35-36H,5,10-11,20-21,23,25H2,1-4H3
InChIKeyHBDDPYSRCQSRDJ-UHFFFAOYSA-N
MW478.72 g/mol
LogP9.09
Rot. Bonds6

About N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline

N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline (PubChem CID 176655062) has the molecular formula C34H42N2 and a molecular weight of 478.72 g/mol. Its IUPAC name is N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline.

Molecular Properties

Compound NameN-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline
PubChem CID176655062
Molecular FormulaC34H42N2
Molecular Weight478.72 g/mol
Exact Mass478.33
IUPAC NameN-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline
SMILESCC1=CCC(C)(Nc2ccccc2C2(c3ccccc3NC3(C)C=CC(C)=CC3)CCCCC2)C=C1
InChIInChI=1S/C34H42N2/c1-26-16-22-32(3,23-17-26)35-30-14-8-6-12-28(30)34(20-10-5-11-21-34)29-13-7-9-15-31(29)36-33(4)24-18-27(2)19-25-33/h6-9,12-19,22,24,35-36H,5,10-11,20-21,23,25H2,1-4H3
InChIKeyHBDDPYSRCQSRDJ-UHFFFAOYSA-N
XLogP9.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.72
LogP ≤ 59.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline?
The IUPAC name of N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline (CID 176655062) is N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline.
What is the SMILES notation for N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline?
The canonical SMILES for N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline is CC1=CCC(C)(Nc2ccccc2C2(c3ccccc3NC3(C)C=CC(C)=CC3)CCCCC2)C=C1.
What is the InChIKey of N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline?
The InChIKey is HBDDPYSRCQSRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2/c1-26-16-22-32(3,23-17-26)35-30-14-8-6-12-28(30)34(20-10-5-11-21-34)29-13-7-9-15-31(29)36-33(4)24-18-27(2)19-25-33/h6-9,12-19,22,24,35-36H,5,10-11,20-21,23,25H2,1-4H3.
What are the key properties of N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline?
N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline has a molecular weight of 478.72 g/mol, XLogP of 9.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline is sourced from PubChem (CID 176655062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).