N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine

C31H25N — CID 59308162

IUPACN-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine
SMILESCC(C)N(c1cc2ccccc2c2ccccc12)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C31H25N/c1-21(2)32(30-19-22-11-3-5-13-24(22)26-15-7-9-17-28(26)30)31-20-23-12-4-6-14-25(23)27-16-8-10-18-29(27)31/h3-21H,1-2H3
InChIKeyNMLPGHOCAFOPFK-UHFFFAOYSA-N
MW411.55 g/mol
LogP8.85
Rot. Bonds3

About N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine

N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine (PubChem CID 59308162) has the molecular formula C31H25N and a molecular weight of 411.55 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine
PubChem CID59308162
Molecular FormulaC31H25N
Molecular Weight411.55 g/mol
Exact Mass411.20
IUPAC NameN-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine
SMILESCC(C)N(c1cc2ccccc2c2ccccc12)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C31H25N/c1-21(2)32(30-19-22-11-3-5-13-24(22)26-15-7-9-17-28(26)30)31-20-23-12-4-6-14-25(23)27-16-8-10-18-29(27)31/h3-21H,1-2H3
InChIKeyNMLPGHOCAFOPFK-UHFFFAOYSA-N
XLogP8.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 58.85
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-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine
CID 59308715
N-methyl-N-phenylphenanthren-9-amine
CID 22944746
N-methyl-N-naphthalen-1-ylphenanthren-9-amine
CID 18740121
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N-ethyl-N-phenylphenanthren-9-amine
CID 126656555
N,N-bis(4-tert-butylphenyl)phenanthren-9-amine
CID 177481694
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665524
N,N-di(phenanthren-9-yl)-6-propan-2-yldibenzothiophen-4-amine
CID 129118397
10-methyl-2-propan-2-ylphenanthrene
CID 613068
3-propan-2-ylchrysene
CID 54288405
phenanthren-9-yl-di(propan-2-yl)phosphane
CID 139184235

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine?
The IUPAC name of N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine (CID 59308162) is N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine?
The canonical SMILES for N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine is CC(C)N(c1cc2ccccc2c2ccccc12)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine?
The InChIKey is NMLPGHOCAFOPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N/c1-21(2)32(30-19-22-11-3-5-13-24(22)26-15-7-9-17-28(26)30)31-20-23-12-4-6-14-25(23)27-16-8-10-18-29(27)31/h3-21H,1-2H3.
What are the key properties of N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine?
N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine has a molecular weight of 411.55 g/mol, XLogP of 8.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine is sourced from PubChem (CID 59308162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).