N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane

C34H37N — CID 144919698

IUPACN-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane
SMILESCCC.CCc1cccc(N(C2=CC=CCC2)c2ccccc2)c1-c1c(C)ccc2ccccc12
InChIInChI=1S/C31H29N.C3H8/c1-3-24-14-12-20-29(31(24)30-23(2)21-22-25-13-10-11-19-28(25)30)32(26-15-6-4-7-16-26)27-17-8-5-9-18-27;1-3-2/h4-8,10-17,19-22H,3,9,18H2,1-2H3;3H2,1-2H3
InChIKeyNVSQJJPAHLFVIA-UHFFFAOYSA-N
MW459.68 g/mol
LogP10.17
Rot. Bonds5

About N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane

N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane (PubChem CID 144919698) has the molecular formula C34H37N and a molecular weight of 459.68 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane
PubChem CID144919698
Molecular FormulaC34H37N
Molecular Weight459.68 g/mol
Exact Mass459.29
IUPAC NameN-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane
SMILESCCC.CCc1cccc(N(C2=CC=CCC2)c2ccccc2)c1-c1c(C)ccc2ccccc12
InChIInChI=1S/C31H29N.C3H8/c1-3-24-14-12-20-29(31(24)30-23(2)21-22-25-13-10-11-19-28(25)30)32(26-15-6-4-7-16-26)27-17-8-5-9-18-27;1-3-2/h4-8,10-17,19-22H,3,9,18H2,1-2H3;3H2,1-2H3
InChIKeyNVSQJJPAHLFVIA-UHFFFAOYSA-N
XLogP10.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine
CID 129170977
N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine
CID 155034554
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550
N-cyclohexa-1,3-dien-1-yl-4-methyl-3-[3-[2-methyl-5-(N-phenylanilino)phenyl]-2-phenylphenyl]-N-phenylaniline
CID 144565283
N-cyclohexa-1,3-dien-1-yl-N-methylaniline
CID 90128279
ethane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 145000918
N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine
CID 167293388
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
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
N-cyclohexa-1,3-dien-1-yl-4-[10-[4-(N-hepta-2,4-dien-2-ylanilino)phenyl]anthracen-9-yl]-2-methyl-N-phenylaniline
CID 90937810
12-N-cyclohexa-1,3-dien-1-yl-6-N,6-N,12-N-triphenyl-3,4-dihydrochrysene-6,12-diamine
CID 89065106

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane (CID 144919698) is N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane is CCC.CCc1cccc(N(C2=CC=CCC2)c2ccccc2)c1-c1c(C)ccc2ccccc12.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane?
The InChIKey is NVSQJJPAHLFVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N.C3H8/c1-3-24-14-12-20-29(31(24)30-23(2)21-22-25-13-10-11-19-28(25)30)32(26-15-6-4-7-16-26)27-17-8-5-9-18-27;1-3-2/h4-8,10-17,19-22H,3,9,18H2,1-2H3;3H2,1-2H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane?
N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane has a molecular weight of 459.68 g/mol, XLogP of 10.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane is sourced from PubChem (CID 144919698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).