4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline

C30H31N — CID 70920041

IUPAC4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
SMILESCC(c1ccc(N(C2=CC=CCC2)c2ccccc2)cc1)C1CC=CC2=CC=CCC21
InChIInChI=1S/C30H31N/c1-23(29-18-10-12-25-11-8-9-17-30(25)29)24-19-21-28(22-20-24)31(26-13-4-2-5-14-26)27-15-6-3-7-16-27/h2-6,8-15,19-23,29-30H,7,16-18H2,1H3
InChIKeyIKFQLXVQPPRJGS-UHFFFAOYSA-N
MW405.59 g/mol
LogP8.24
Rot. Bonds5

About 4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline

4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline (PubChem CID 70920041) has the molecular formula C30H31N and a molecular weight of 405.59 g/mol. Its IUPAC name is 4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline.

Molecular Properties

Compound Name4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
PubChem CID70920041
Molecular FormulaC30H31N
Molecular Weight405.59 g/mol
Exact Mass405.25
IUPAC Name4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
SMILESCC(c1ccc(N(C2=CC=CCC2)c2ccccc2)cc1)C1CC=CC2=CC=CCC21
InChIInChI=1S/C30H31N/c1-23(29-18-10-12-25-11-8-9-17-30(25)29)24-19-21-28(22-20-24)31(26-13-4-2-5-14-26)27-15-6-3-7-16-27/h2-6,8-15,19-23,29-30H,7,16-18H2,1H3
InChIKeyIKFQLXVQPPRJGS-UHFFFAOYSA-N
XLogP8.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 163765036
N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-[4-(N-phenylanilino)phenyl]sulfonylaniline
CID 170319221
4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline
CID 123591975
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline
CID 90760439
N-cyclohexa-1,3-dien-1-yl-N-methylaniline
CID 90128279
N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline
CID 154936997
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
2-N-cyclohexa-1,3-dien-1-yl-8-N-phenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 135189546

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline?
The IUPAC name of 4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline (CID 70920041) is 4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline.
What is the SMILES notation for 4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline?
The canonical SMILES for 4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline is CC(c1ccc(N(C2=CC=CCC2)c2ccccc2)cc1)C1CC=CC2=CC=CCC21.
What is the InChIKey of 4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline?
The InChIKey is IKFQLXVQPPRJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N/c1-23(29-18-10-12-25-11-8-9-17-30(25)29)24-19-21-28(22-20-24)31(26-13-4-2-5-14-26)27-15-6-3-7-16-27/h2-6,8-15,19-23,29-30H,7,16-18H2,1H3.
What are the key properties of 4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline?
4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline has a molecular weight of 405.59 g/mol, XLogP of 8.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline is sourced from PubChem (CID 70920041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).