3-N,4,6-triphenylbenzene-1,3-diamine

C24H20N2 — CID 118930756

IUPAC3-N,4,6-triphenylbenzene-1,3-diamine
SMILESNc1cc(Nc2ccccc2)c(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H20N2/c25-23-17-24(26-20-14-8-3-9-15-20)22(19-12-6-2-7-13-19)16-21(23)18-10-4-1-5-11-18/h1-17,26H,25H2
InChIKeyCWXAPFWCWPMIHX-UHFFFAOYSA-N
MW336.44 g/mol
LogP6.35
Rot. Bonds4

About 3-N,4,6-triphenylbenzene-1,3-diamine

3-N,4,6-triphenylbenzene-1,3-diamine (PubChem CID 118930756) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-N,4,6-triphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N,4,6-triphenylbenzene-1,3-diamine
PubChem CID118930756
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name3-N,4,6-triphenylbenzene-1,3-diamine
SMILESNc1cc(Nc2ccccc2)c(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C24H20N2/c25-23-17-24(26-20-14-8-3-9-15-20)22(19-12-6-2-7-13-19)16-21(23)18-10-4-1-5-11-18/h1-17,26H,25H2
InChIKeyCWXAPFWCWPMIHX-UHFFFAOYSA-N
XLogP6.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
benzene;N,2-diphenylaniline
CID 175029921
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
5,5,8,8-tetramethyl-N,3-diphenyl-6,7-dihydronaphthalen-2-amine
CID 163300047
4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118907736
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748
2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine
CID 43436248
4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine
CID 66739305
4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine
CID 118429250
1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine
CID 141276562
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342

Frequently Asked Questions

What is the IUPAC name of 3-N,4,6-triphenylbenzene-1,3-diamine?
The IUPAC name of 3-N,4,6-triphenylbenzene-1,3-diamine (CID 118930756) is 3-N,4,6-triphenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N,4,6-triphenylbenzene-1,3-diamine?
The canonical SMILES for 3-N,4,6-triphenylbenzene-1,3-diamine is Nc1cc(Nc2ccccc2)c(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 3-N,4,6-triphenylbenzene-1,3-diamine?
The InChIKey is CWXAPFWCWPMIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c25-23-17-24(26-20-14-8-3-9-15-20)22(19-12-6-2-7-13-19)16-21(23)18-10-4-1-5-11-18/h1-17,26H,25H2.
What are the key properties of 3-N,4,6-triphenylbenzene-1,3-diamine?
3-N,4,6-triphenylbenzene-1,3-diamine has a molecular weight of 336.44 g/mol, XLogP of 6.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4,6-triphenylbenzene-1,3-diamine is sourced from PubChem (CID 118930756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).