4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine

C28H25N — CID 71167976

IUPAC4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine
SMILESC1=CC(c2ccc(-c3ccc(Nc4ccccc4)c4c3CCC=C4)cc2)=CCC1
InChIInChI=1S/C28H25N/c1-3-9-21(10-4-1)22-15-17-23(18-16-22)25-19-20-28(27-14-8-7-13-26(25)27)29-24-11-5-2-6-12-24/h2-3,5-6,8-12,14-20,29H,1,4,7,13H2
InChIKeyTXPLXFYEIUSBAQ-UHFFFAOYSA-N
MW375.52 g/mol
LogP7.79
Rot. Bonds4

About 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine

4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine (PubChem CID 71167976) has the molecular formula C28H25N and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine
PubChem CID71167976
Molecular FormulaC28H25N
Molecular Weight375.52 g/mol
Exact Mass375.20
IUPAC Name4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine
SMILESC1=CC(c2ccc(-c3ccc(Nc4ccccc4)c4c3CCC=C4)cc2)=CCC1
InChIInChI=1S/C28H25N/c1-3-9-21(10-4-1)22-15-17-23(18-16-22)25-19-20-28(27-14-8-7-13-26(25)27)29-24-11-5-2-6-12-24/h2-3,5-6,8-12,14-20,29H,1,4,7,13H2
InChIKeyTXPLXFYEIUSBAQ-UHFFFAOYSA-N
XLogP7.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine
CID 167190987
2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine
CID 142351556
9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
CID 164717350
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
CID 174079697
N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine
CID 156510122
N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-2-amine
CID 146594518
4-cyclohexa-1,5-dien-1-yl-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]aniline
CID 134228987
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
CID 146207336
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 142451993

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine?
The IUPAC name of 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine (CID 71167976) is 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine.
What is the SMILES notation for 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine?
The canonical SMILES for 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine is C1=CC(c2ccc(-c3ccc(Nc4ccccc4)c4c3CCC=C4)cc2)=CCC1.
What is the InChIKey of 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine?
The InChIKey is TXPLXFYEIUSBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N/c1-3-9-21(10-4-1)22-15-17-23(18-16-22)25-19-20-28(27-14-8-7-13-26(25)27)29-24-11-5-2-6-12-24/h2-3,5-6,8-12,14-20,29H,1,4,7,13H2.
What are the key properties of 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine?
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine has a molecular weight of 375.52 g/mol, XLogP of 7.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine is sourced from PubChem (CID 71167976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).