N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine

C32H22ClN — CID 142730125

IUPACN-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine
SMILESClc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C32H22ClN/c33-26-16-20-28(21-17-26)34(27-18-14-24(15-19-27)23-8-2-1-3-9-23)32-22-25-10-4-5-11-29(25)30-12-6-7-13-31(30)32/h1-22H
InChIKeyLMAWBUZYDZBWHF-UHFFFAOYSA-N
MW455.99 g/mol
LogP9.78
Rot. Bonds4

About N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine

N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 142730125) has the molecular formula C32H22ClN and a molecular weight of 455.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine
PubChem CID142730125
Molecular FormulaC32H22ClN
Molecular Weight455.99 g/mol
Exact Mass455.14
IUPAC NameN-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine
SMILESClc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C32H22ClN/c33-26-16-20-28(21-17-26)34(27-18-14-24(15-19-27)23-8-2-1-3-9-23)32-22-25-10-4-5-11-29(25)30-12-6-7-13-31(30)32/h1-22H
InChIKeyLMAWBUZYDZBWHF-UHFFFAOYSA-N
XLogP9.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 156578695
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
N-(3,5-diphenylphenyl)-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 177079916
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 142730115
N-[4-(4-chlorophenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 16755311
N-(4-phenylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 121477390
N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine
CID 59690812
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164529185
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine (CID 142730125) is N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine is Clc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine?
The InChIKey is LMAWBUZYDZBWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22ClN/c33-26-16-20-28(21-17-26)34(27-18-14-24(15-19-27)23-8-2-1-3-9-23)32-22-25-10-4-5-11-29(25)30-12-6-7-13-31(30)32/h1-22H.
What are the key properties of N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine?
N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine has a molecular weight of 455.99 g/mol, XLogP of 9.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 142730125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).