N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline

C31H27N — CID 143269273

IUPACN-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C3=CC=CCC3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C31H27N/c1-24-12-18-29(19-13-24)32(30-20-14-27(15-21-30)25-8-4-2-5-9-25)31-22-16-28(17-23-31)26-10-6-3-7-11-26/h2-6,8-10,12-23H,7,11H2,1H3
InChIKeyGICSQJZTTHEZAC-UHFFFAOYSA-N
MW413.56 g/mol
LogP8.87
Rot. Bonds5

About N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline

N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline (PubChem CID 143269273) has the molecular formula C31H27N and a molecular weight of 413.56 g/mol. Its IUPAC name is N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
PubChem CID143269273
Molecular FormulaC31H27N
Molecular Weight413.56 g/mol
Exact Mass413.21
IUPAC NameN-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C3=CC=CCC3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C31H27N/c1-24-12-18-29(19-13-24)32(30-20-14-27(15-21-30)25-8-4-2-5-9-25)31-22-16-28(17-23-31)26-10-6-3-7-11-26/h2-6,8-10,12-23H,7,11H2,1H3
InChIKeyGICSQJZTTHEZAC-UHFFFAOYSA-N
XLogP8.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
4-cyclohexa-1,3-dien-1-yl-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118402803
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766421
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
benzene;N-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline
CID 143529579
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166859893
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline (CID 143269273) is N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline is Cc1ccc(N(c2ccc(C3=CC=CCC3)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline?
The InChIKey is GICSQJZTTHEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N/c1-24-12-18-29(19-13-24)32(30-20-14-27(15-21-30)25-8-4-2-5-9-25)31-22-16-28(17-23-31)26-10-6-3-7-11-26/h2-6,8-10,12-23H,7,11H2,1H3.
What are the key properties of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline?
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline has a molecular weight of 413.56 g/mol, XLogP of 8.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 143269273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).