2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine

C42H30N2 — CID 144681198

IUPAC2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine
SMILESc1ccc(-c2ccccc2Nc2ccc3c4ccc(Nc5ccccc5-c5ccccc5)cc4c4ccccc4c3c2)cc1
InChIInChI=1S/C42H30N2/c1-3-13-29(14-4-1)33-17-9-11-21-41(33)43-31-23-25-37-38-26-24-32(28-40(38)36-20-8-7-19-35(36)39(37)27-31)44-42-22-12-10-18-34(42)30-15-5-2-6-16-30/h1-28,43-44H
InChIKeyLIDFYEGEJXQEQR-UHFFFAOYSA-N
MW562.72 g/mol
LogP11.97
Rot. Bonds6

About 2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine

2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine (PubChem CID 144681198) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine
PubChem CID144681198
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine
SMILESc1ccc(-c2ccccc2Nc2ccc3c4ccc(Nc5ccccc5-c5ccccc5)cc4c4ccccc4c3c2)cc1
InChIInChI=1S/C42H30N2/c1-3-13-29(14-4-1)33-17-9-11-21-41(33)43-31-23-25-37-38-26-24-32(28-40(38)36-20-8-7-19-35(36)39(37)27-31)44-42-22-12-10-18-34(42)30-15-5-2-6-16-30/h1-28,43-44H
InChIKeyLIDFYEGEJXQEQR-UHFFFAOYSA-N
XLogP11.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-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

2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine
CID 141309629
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
benzene;N,2-diphenylaniline
CID 175029921
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine
CID 43436248
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 130250792
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
CID 22968504

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine (CID 144681198) is 2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine is c1ccc(-c2ccccc2Nc2ccc3c4ccc(Nc5ccccc5-c5ccccc5)cc4c4ccccc4c3c2)cc1.
What is the InChIKey of 2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine?
The InChIKey is LIDFYEGEJXQEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-3-13-29(14-4-1)33-17-9-11-21-41(33)43-31-23-25-37-38-26-24-32(28-40(38)36-20-8-7-19-35(36)39(37)27-31)44-42-22-12-10-18-34(42)30-15-5-2-6-16-30/h1-28,43-44H.
What are the key properties of 2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine?
2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine has a molecular weight of 562.72 g/mol, XLogP of 11.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(2-phenylphenyl)triphenylene-2,7-diamine is sourced from PubChem (CID 144681198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).