2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine

C24H20N2 — CID 175803313

IUPAC2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
SMILESNc1ccccc1N(c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C24H20N2/c25-22-16-8-10-18-24(22)26(20-13-5-2-6-14-20)23-17-9-7-15-21(23)19-11-3-1-4-12-19/h1-18H,25H2
InChIKeyMOFXEOHUPVWILH-UHFFFAOYSA-N
MW336.44 g/mol
LogP6.41
Rot. Bonds4

About 2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine

2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine (PubChem CID 175803313) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
PubChem CID175803313
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
SMILESNc1ccccc1N(c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C24H20N2/c25-22-16-8-10-18-24(22)26(20-13-5-2-6-14-20)23-17-9-7-15-21(23)19-11-3-1-4-12-19/h1-18H,25H2
InChIKeyMOFXEOHUPVWILH-UHFFFAOYSA-N
XLogP6.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
N,3-diphenyl-N,2-bis(2-phenylphenyl)aniline
CID 168788803
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
2,3,5,6-tetradeuterio-N,N-diphenyl-4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163689663
N,2-diphenyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
CID 59705555
2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline
CID 151341764
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200

Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine (CID 175803313) is 2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine is Nc1ccccc1N(c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine?
The InChIKey is MOFXEOHUPVWILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c25-22-16-8-10-18-24(22)26(20-13-5-2-6-14-20)23-17-9-7-15-21(23)19-11-3-1-4-12-19/h1-18H,25H2.
What are the key properties of 2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine?
2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine has a molecular weight of 336.44 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 175803313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).