1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine

C66H48N2 — CID 155010301

IUPAC1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C66H48N2/c1-7-21-49(22-8-1)51-35-39-57(40-36-51)67(59-43-45-61(53-25-11-3-12-26-53)63(47-59)55-29-15-5-16-30-55)65-33-19-20-34-66(65)68(58-41-37-52(38-42-58)50-23-9-2-10-24-50)60-44-46-62(54-27-13-4-14-28-54)64(48-60)56-31-17-6-18-32-56/h1-48H
InChIKeyPTANWNLZDFQESB-UHFFFAOYSA-N
MW869.12 g/mol
LogP18.63
Rot. Bonds12

About 1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine

1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine (PubChem CID 155010301) has the molecular formula C66H48N2 and a molecular weight of 869.12 g/mol. Its IUPAC name is 1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
PubChem CID155010301
Molecular FormulaC66H48N2
Molecular Weight869.12 g/mol
Exact Mass868.38
IUPAC Name1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C66H48N2/c1-7-21-49(22-8-1)51-35-39-57(40-36-51)67(59-43-45-61(53-25-11-3-12-26-53)63(47-59)55-29-15-5-16-30-55)65-33-19-20-34-66(65)68(58-41-37-52(38-42-58)50-23-9-2-10-24-50)60-44-46-62(54-27-13-4-14-28-54)64(48-60)56-31-17-6-18-32-56/h1-48H
InChIKeyPTANWNLZDFQESB-UHFFFAOYSA-N
XLogP18.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.12
LogP ≤ 518.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
3,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254211
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine
CID 157328578
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-[4-[4-(N-(3,4-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 159775461
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
2-N-(3,4-diphenylphenyl)-1-N,1-N-diphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,2-diamine
CID 139322157

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine (CID 155010301) is 1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine?
The InChIKey is PTANWNLZDFQESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2/c1-7-21-49(22-8-1)51-35-39-57(40-36-51)67(59-43-45-61(53-25-11-3-12-26-53)63(47-59)55-29-15-5-16-30-55)65-33-19-20-34-66(65)68(58-41-37-52(38-42-58)50-23-9-2-10-24-50)60-44-46-62(54-27-13-4-14-28-54)64(48-60)56-31-17-6-18-32-56/h1-48H.
What are the key properties of 1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine?
1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine has a molecular weight of 869.12 g/mol, XLogP of 18.63, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 155010301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).