N-methyl-N-phenylphenanthren-9-amine

C21H17N — CID 22944746

IUPACN-methyl-N-phenylphenanthren-9-amine
SMILESCN(c1ccccc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C21H17N/c1-22(17-10-3-2-4-11-17)21-15-16-9-5-6-12-18(16)19-13-7-8-14-20(19)21/h2-15H,1H3
InChIKeySERJMORVNXAEDL-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.76
Rot. Bonds2

About N-methyl-N-phenylphenanthren-9-amine

N-methyl-N-phenylphenanthren-9-amine (PubChem CID 22944746) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is N-methyl-N-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-methyl-N-phenylphenanthren-9-amine
PubChem CID22944746
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC NameN-methyl-N-phenylphenanthren-9-amine
SMILESCN(c1ccccc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C21H17N/c1-22(17-10-3-2-4-11-17)21-15-16-9-5-6-12-18(16)19-13-7-8-14-20(19)21/h2-15H,1H3
InChIKeySERJMORVNXAEDL-UHFFFAOYSA-N
XLogP5.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.76
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

6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
CID 86226207
N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine
CID 59431534
N-methyl-N-naphthalen-1-ylphenanthren-9-amine
CID 18740121
bis(N-methyl-N,4-diphenylaniline);N-methyl-N-phenylaniline;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;N-methyl-N-phenylphenanthren-9-amine;N-methyl-N-(4-phenylphenyl)naphthalen-1-amine;N-methyl-N-(4-phenylphenyl)naphthalen-2-amine;N-methyl-N-(4-phenylphenyl)phenanthren-9-amine;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 159782729
N-methyl-N-(4-phenylphenyl)chrysen-6-amine
CID 139546740
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine
CID 59431968
N-ethyl-N-phenylphenanthren-9-amine
CID 126656555
N-methyl-N-phenylanthracen-9-amine
CID 22944738
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665524
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
N-methyl-N-phenanthren-9-ylisoquinolin-1-amine
CID 89072690

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylphenanthren-9-amine?
The IUPAC name of N-methyl-N-phenylphenanthren-9-amine (CID 22944746) is N-methyl-N-phenylphenanthren-9-amine.
What is the SMILES notation for N-methyl-N-phenylphenanthren-9-amine?
The canonical SMILES for N-methyl-N-phenylphenanthren-9-amine is CN(c1ccccc1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-methyl-N-phenylphenanthren-9-amine?
The InChIKey is SERJMORVNXAEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-22(17-10-3-2-4-11-17)21-15-16-9-5-6-12-18(16)19-13-7-8-14-20(19)21/h2-15H,1H3.
What are the key properties of N-methyl-N-phenylphenanthren-9-amine?
N-methyl-N-phenylphenanthren-9-amine has a molecular weight of 283.37 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylphenanthren-9-amine is sourced from PubChem (CID 22944746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).