diphenyl-[3-(1-phenylethenyl)phenyl]methanamine

C27H23N — CID 90407178

IUPACdiphenyl-[3-(1-phenylethenyl)phenyl]methanamine
SMILESC=C(c1ccccc1)c1cccc(C(N)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H23N/c1-21(22-12-5-2-6-13-22)23-14-11-19-26(20-23)27(28,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-20H,1,28H2
InChIKeyXKBWHSNQPASYGQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.00
Rot. Bonds5

About diphenyl-[3-(1-phenylethenyl)phenyl]methanamine

diphenyl-[3-(1-phenylethenyl)phenyl]methanamine (PubChem CID 90407178) has the molecular formula C27H23N and a molecular weight of 361.49 g/mol. Its IUPAC name is diphenyl-[3-(1-phenylethenyl)phenyl]methanamine.

Molecular Properties

Compound Namediphenyl-[3-(1-phenylethenyl)phenyl]methanamine
PubChem CID90407178
Molecular FormulaC27H23N
Molecular Weight361.49 g/mol
Exact Mass361.18
IUPAC Namediphenyl-[3-(1-phenylethenyl)phenyl]methanamine
SMILESC=C(c1ccccc1)c1cccc(C(N)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H23N/c1-21(22-12-5-2-6-13-22)23-14-11-19-26(20-23)27(28,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-20H,1,28H2
InChIKeyXKBWHSNQPASYGQ-UHFFFAOYSA-N
XLogP6.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
ethane;4-(1-phenylethenyl)benzene-1,2-diamine
CID 54049505
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
phenol;1-phenylethenylbenzene
CID 174309625
phenyl-bis(4-phenylphenyl)methanamine
CID 70664322
2-ethyl-4-(1-phenylethenyl)thiophene
CID 177402358
bis(4-chlorophenyl)-phenylmethanamine
CID 134589032
1,1-diphenylprop-2-ene-1,2-diamine
CID 145459891
1-chloro-3-[1-(3-chlorophenyl)ethenyl]benzene
CID 10243768

Frequently Asked Questions

What is the IUPAC name of diphenyl-[3-(1-phenylethenyl)phenyl]methanamine?
The IUPAC name of diphenyl-[3-(1-phenylethenyl)phenyl]methanamine (CID 90407178) is diphenyl-[3-(1-phenylethenyl)phenyl]methanamine.
What is the SMILES notation for diphenyl-[3-(1-phenylethenyl)phenyl]methanamine?
The canonical SMILES for diphenyl-[3-(1-phenylethenyl)phenyl]methanamine is C=C(c1ccccc1)c1cccc(C(N)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of diphenyl-[3-(1-phenylethenyl)phenyl]methanamine?
The InChIKey is XKBWHSNQPASYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N/c1-21(22-12-5-2-6-13-22)23-14-11-19-26(20-23)27(28,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-20H,1,28H2.
What are the key properties of diphenyl-[3-(1-phenylethenyl)phenyl]methanamine?
diphenyl-[3-(1-phenylethenyl)phenyl]methanamine has a molecular weight of 361.49 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[3-(1-phenylethenyl)phenyl]methanamine is sourced from PubChem (CID 90407178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).