N-methyl-N-naphthalen-1-ylphenanthren-9-amine

C25H19N — CID 18740121

IUPACN-methyl-N-naphthalen-1-ylphenanthren-9-amine
SMILESCN(c1cccc2ccccc12)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C25H19N/c1-26(24-16-8-11-18-9-2-5-13-21(18)24)25-17-19-10-3-4-12-20(19)22-14-6-7-15-23(22)25/h2-17H,1H3
InChIKeyMUCWRJFQMFBKBT-UHFFFAOYSA-N
MW333.43 g/mol
LogP6.91
Rot. Bonds2

About N-methyl-N-naphthalen-1-ylphenanthren-9-amine

N-methyl-N-naphthalen-1-ylphenanthren-9-amine (PubChem CID 18740121) has the molecular formula C25H19N and a molecular weight of 333.43 g/mol. Its IUPAC name is N-methyl-N-naphthalen-1-ylphenanthren-9-amine.

Molecular Properties

Compound NameN-methyl-N-naphthalen-1-ylphenanthren-9-amine
PubChem CID18740121
Molecular FormulaC25H19N
Molecular Weight333.43 g/mol
Exact Mass333.15
IUPAC NameN-methyl-N-naphthalen-1-ylphenanthren-9-amine
SMILESCN(c1cccc2ccccc12)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C25H19N/c1-26(24-16-8-11-18-9-2-5-13-21(18)24)25-17-19-10-3-4-12-20(19)22-14-6-7-15-23(22)25/h2-17H,1H3
InChIKeyMUCWRJFQMFBKBT-UHFFFAOYSA-N
XLogP6.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 56.91
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

N-methyl-N-phenylphenanthren-9-amine
CID 22944746
N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine
CID 59431534
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-(2,4,5-trimethylphenyl)naphthalen-1-amine
CID 163438420
N-methyl-N-phenanthren-9-ylisoquinolin-1-amine
CID 89072690
[2-[naphthalen-1-yl(phenanthren-9-yl)amino]phenyl]boronic acid
CID 141468575
N-(2,6-dimethylphenyl)-N-methylnaphthalen-1-amine
CID 163438414
N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine
CID 59327767
1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 157084085
N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine
CID 59308162
N-methyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 70877197
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-naphthalen-1-ylphenanthren-9-amine?
The IUPAC name of N-methyl-N-naphthalen-1-ylphenanthren-9-amine (CID 18740121) is N-methyl-N-naphthalen-1-ylphenanthren-9-amine.
What is the SMILES notation for N-methyl-N-naphthalen-1-ylphenanthren-9-amine?
The canonical SMILES for N-methyl-N-naphthalen-1-ylphenanthren-9-amine is CN(c1cccc2ccccc12)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-methyl-N-naphthalen-1-ylphenanthren-9-amine?
The InChIKey is MUCWRJFQMFBKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N/c1-26(24-16-8-11-18-9-2-5-13-21(18)24)25-17-19-10-3-4-12-20(19)22-14-6-7-15-23(22)25/h2-17H,1H3.
What are the key properties of N-methyl-N-naphthalen-1-ylphenanthren-9-amine?
N-methyl-N-naphthalen-1-ylphenanthren-9-amine has a molecular weight of 333.43 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-naphthalen-1-ylphenanthren-9-amine is sourced from PubChem (CID 18740121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).