4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine

C26H23N — CID 146580162

IUPAC4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine
SMILESCC1(N)C=CC=C(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C=C1
InChIInChI=1S/C26H23N/c1-26(27)15-8-13-22(14-16-26)25-18-23(20-9-4-2-5-10-20)17-24(19-25)21-11-6-3-7-12-21/h2-19H,27H2,1H3
InChIKeyNGCMJIIQAPIRHL-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.25
Rot. Bonds3

About 4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine

4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine (PubChem CID 146580162) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine
PubChem CID146580162
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine
SMILESCC1(N)C=CC=C(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C=C1
InChIInChI=1S/C26H23N/c1-26(27)15-8-13-22(14-16-26)25-18-23(20-9-4-2-5-10-20)17-24(19-25)21-11-6-3-7-12-21/h2-19H,27H2,1H3
InChIKeyNGCMJIIQAPIRHL-UHFFFAOYSA-N
XLogP6.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine
CID 138481842
1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol
CID 145162638
7-tert-butyl-7-methyl-3-phenylcyclohepta-1,3,5-triene
CID 143426144
cyclobutadienylbenzene
CID 86042442
2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine
CID 138481846
7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene
CID 148559000
ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene
CID 145328002
ethane;1,3,5-triphenylbenzene
CID 142123051
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
ethane;3-(3-phenylphenyl)cyclohepta-1,3,5-triene
CID 144739295

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine?
The IUPAC name of 4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine (CID 146580162) is 4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for 4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for 4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine is CC1(N)C=CC=C(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C=C1.
What is the InChIKey of 4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine?
The InChIKey is NGCMJIIQAPIRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-26(27)15-8-13-22(14-16-26)25-18-23(20-9-4-2-5-10-20)17-24(19-25)21-11-6-3-7-12-21/h2-19H,27H2,1H3.
What are the key properties of 4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine?
4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine has a molecular weight of 349.48 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 146580162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).