2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline

C37H31N — CID 134219894

IUPAC2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
SMILESCC1C=CC(c2ccccc2N(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccccc2)=CC1
InChIInChI=1S/C37H31N/c1-28-23-25-31(26-24-28)35-20-9-11-22-37(35)38(33-18-12-17-32(27-33)29-13-4-2-5-14-29)36-21-10-8-19-34(36)30-15-6-3-7-16-30/h2-23,25-28H,24H2,1H3
InChIKeyGHKIDFZZVIZMDP-UHFFFAOYSA-N
MW489.66 g/mol
LogP10.47
Rot. Bonds6

About 2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline

2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline (PubChem CID 134219894) has the molecular formula C37H31N and a molecular weight of 489.66 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
PubChem CID134219894
Molecular FormulaC37H31N
Molecular Weight489.66 g/mol
Exact Mass489.25
IUPAC Name2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
SMILESCC1C=CC(c2ccccc2N(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccccc2)=CC1
InChIInChI=1S/C37H31N/c1-28-23-25-31(26-24-28)35-20-9-11-22-37(35)38(33-18-12-17-32(27-33)29-13-4-2-5-14-29)36-21-10-8-19-34(36)30-15-6-3-7-16-30/h2-23,25-28H,24H2,1H3
InChIKeyGHKIDFZZVIZMDP-UHFFFAOYSA-N
XLogP10.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 146414763
2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline
CID 144663158
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane
CID 145096303
3-phenyl-N,2-bis(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789132
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine
CID 144950157
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487
4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine
CID 170230959
3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 121322768
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine
CID 142481137
N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170297449

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The IUPAC name of 2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline (CID 134219894) is 2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The canonical SMILES for 2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline is CC1C=CC(c2ccccc2N(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccccc2)=CC1.
What is the InChIKey of 2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
The InChIKey is GHKIDFZZVIZMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N/c1-28-23-25-31(26-24-28)35-20-9-11-22-37(35)38(33-18-12-17-32(27-33)29-13-4-2-5-14-29)36-21-10-8-19-34(36)30-15-6-3-7-16-30/h2-23,25-28H,24H2,1H3.
What are the key properties of 2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline?
2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline has a molecular weight of 489.66 g/mol, XLogP of 10.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 134219894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).