N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine

C42H29N — CID 169007083

IUPACN-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine
SMILESc1ccc(-c2ccc(Nc3cc(-c4cc5ccccc5c5ccccc45)c4ccccc4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C42H29N/c1-3-13-29(14-4-1)31-23-24-42(39(26-31)30-15-5-2-6-16-30)43-34-25-32-17-7-10-20-36(32)41(28-34)40-27-33-18-8-9-19-35(33)37-21-11-12-22-38(37)40/h1-28,43H
InChIKeyURUKKDMYDYLTQB-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.89
Rot. Bonds5

About N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine

N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine (PubChem CID 169007083) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine
PubChem CID169007083
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC NameN-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine
SMILESc1ccc(-c2ccc(Nc3cc(-c4cc5ccccc5c5ccccc45)c4ccccc4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C42H29N/c1-3-13-29(14-4-1)31-23-24-42(39(26-31)30-15-5-2-6-16-30)43-34-25-32-17-7-10-20-36(32)41(28-34)40-27-33-18-8-9-19-35(33)37-21-11-12-22-38(37)40/h1-28,43H
InChIKeyURUKKDMYDYLTQB-UHFFFAOYSA-N
XLogP11.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 145442322
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118907736
2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748
4-(4-anilinophenyl)-2-naphthalen-1-yl-N-phenylaniline
CID 66605145
2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline
CID 155123182
N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 163918921
3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 175774490
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
4-phenanthren-9-yl-N,3-diphenylaniline
CID 177300609
N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167003698
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine (CID 169007083) is N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine is c1ccc(-c2ccc(Nc3cc(-c4cc5ccccc5c5ccccc45)c4ccccc4c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine?
The InChIKey is URUKKDMYDYLTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-3-13-29(14-4-1)31-23-24-42(39(26-31)30-15-5-2-6-16-30)43-34-25-32-17-7-10-20-36(32)41(28-34)40-27-33-18-8-9-19-35(33)37-21-11-12-22-38(37)40/h1-28,43H.
What are the key properties of N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine?
N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine has a molecular weight of 547.70 g/mol, XLogP of 11.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine is sourced from PubChem (CID 169007083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).