N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine

C30H21N — CID 134359527

IUPACN-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
SMILESc1ccc2c(-c3ccc(Nc4cc5ccccc5c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C30H21N/c1-3-11-25-21(8-1)10-7-15-26(25)22-16-18-24(19-17-22)31-30-20-23-9-2-4-12-27(23)28-13-5-6-14-29(28)30/h1-20,31H
InChIKeyXNKTXJMTJCQTGN-UHFFFAOYSA-N
MW395.51 g/mol
LogP8.56
Rot. Bonds3

About N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine

N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine (PubChem CID 134359527) has the molecular formula C30H21N and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
PubChem CID134359527
Molecular FormulaC30H21N
Molecular Weight395.51 g/mol
Exact Mass395.17
IUPAC NameN-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
SMILESc1ccc2c(-c3ccc(Nc4cc5ccccc5c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C30H21N/c1-3-11-25-21(8-1)10-7-15-26(25)22-16-18-24(19-17-22)31-30-20-23-9-2-4-12-27(23)28-13-5-6-14-29(28)30/h1-20,31H
InChIKeyXNKTXJMTJCQTGN-UHFFFAOYSA-N
XLogP8.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 58.56
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

4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 130250792
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 175774490
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 168764813
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 145442322
9-naphthalen-1-ylphenanthrene
CID 20606742
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
4-(4-anilinophenyl)-2-naphthalen-1-yl-N-phenylaniline
CID 66605145
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine (CID 134359527) is N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine is c1ccc2c(-c3ccc(Nc4cc5ccccc5c5ccccc45)cc3)cccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine?
The InChIKey is XNKTXJMTJCQTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N/c1-3-11-25-21(8-1)10-7-15-26(25)22-16-18-24(19-17-22)31-30-20-23-9-2-4-12-27(23)28-13-5-6-14-29(28)30/h1-20,31H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine?
N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine has a molecular weight of 395.51 g/mol, XLogP of 8.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine is sourced from PubChem (CID 134359527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).