N-phenylphenanthren-2-amine

C20H15N — CID 23175030

IUPACN-phenylphenanthren-2-amine
SMILESc1ccc(Nc2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C20H15N/c1-2-7-17(8-3-1)21-18-12-13-20-16(14-18)11-10-15-6-4-5-9-19(15)20/h1-14,21H
InChIKeyJGOREIPDYJNDFQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP5.74
Rot. Bonds2

About N-phenylphenanthren-2-amine

N-phenylphenanthren-2-amine (PubChem CID 23175030) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is N-phenylphenanthren-2-amine.

Molecular Properties

Compound NameN-phenylphenanthren-2-amine
PubChem CID23175030
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC NameN-phenylphenanthren-2-amine
SMILESc1ccc(Nc2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C20H15N/c1-2-7-17(8-3-1)21-18-12-13-20-16(14-18)11-10-15-6-4-5-9-19(15)20/h1-14,21H
InChIKeyJGOREIPDYJNDFQ-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.35
LogP ≤ 55.74
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

2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
N-naphthalen-1-ylphenanthren-2-amine
CID 139983977
N-phenanthren-2-yldibenzothiophen-3-amine
CID 166647228
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
7-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 166714630
4-phenanthren-3-yl-N,3-diphenylaniline
CID 177300604
4-phenanthren-9-yl-N,3-diphenylaniline
CID 177300609
6-phenanthren-9-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 169007580
3-phenanthren-9-yl-N-phenylaniline
CID 134376612
nonane;N-phenylnaphthalen-2-amine
CID 159912384
N-pentacen-2-ylpentacen-2-amine
CID 91227915
1-N-[4-[4-(4-methylanilino)-N-phenanthren-2-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338013

Frequently Asked Questions

What is the IUPAC name of N-phenylphenanthren-2-amine?
The IUPAC name of N-phenylphenanthren-2-amine (CID 23175030) is N-phenylphenanthren-2-amine.
What is the SMILES notation for N-phenylphenanthren-2-amine?
The canonical SMILES for N-phenylphenanthren-2-amine is c1ccc(Nc2ccc3c(ccc4ccccc43)c2)cc1.
What is the InChIKey of N-phenylphenanthren-2-amine?
The InChIKey is JGOREIPDYJNDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N/c1-2-7-17(8-3-1)21-18-12-13-20-16(14-18)11-10-15-6-4-5-9-19(15)20/h1-14,21H.
What are the key properties of N-phenylphenanthren-2-amine?
N-phenylphenanthren-2-amine has a molecular weight of 269.35 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylphenanthren-2-amine is sourced from PubChem (CID 23175030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).