N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine

C44H29N — CID 155304063

IUPACN-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine
SMILESc1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C44H29N/c1-2-13-32(14-3-1)45(34-26-27-42-39-19-8-7-17-37(39)38-18-9-11-21-41(38)44(42)29-34)33-24-22-30(23-25-33)43-28-31-12-4-5-15-35(31)36-16-6-10-20-40(36)43/h1-29H
InChIKeyRJCURNKPHNIGLV-UHFFFAOYSA-N
MW571.72 g/mol
LogP12.59
Rot. Bonds4

About N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine

N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine (PubChem CID 155304063) has the molecular formula C44H29N and a molecular weight of 571.72 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine
PubChem CID155304063
Molecular FormulaC44H29N
Molecular Weight571.72 g/mol
Exact Mass571.23
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine
SMILESc1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C44H29N/c1-2-13-32(14-3-1)45(34-26-27-42-39-19-8-7-17-37(39)38-18-9-11-21-41(38)44(42)29-34)33-24-22-30(23-25-33)43-28-31-12-4-5-15-35(31)36-16-6-10-20-40(36)43/h1-29H
InChIKeyRJCURNKPHNIGLV-UHFFFAOYSA-N
XLogP12.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine 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

N-(4-phenanthren-9-ylphenyl)-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-5-amine
CID 177100465
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphthalen-2-amine
CID 166956443
3-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 164832159
3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 142614567
3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159059412
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956539
N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine
CID 89251617

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine (CID 155304063) is N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine is c1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine?
The InChIKey is RJCURNKPHNIGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N/c1-2-13-32(14-3-1)45(34-26-27-42-39-19-8-7-17-37(39)38-18-9-11-21-41(38)44(42)29-34)33-24-22-30(23-25-33)43-28-31-12-4-5-15-35(31)36-16-6-10-20-40(36)43/h1-29H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine?
N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine has a molecular weight of 571.72 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine is sourced from PubChem (CID 155304063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).