N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine

C29H25N — CID 59308715

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine
SMILESCC(C)N(c1ccc2c3c(cccc13)CC2)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C29H25N/c1-19(2)30(27-17-16-21-15-14-20-9-7-13-26(27)29(20)21)28-18-22-8-3-4-10-23(22)24-11-5-6-12-25(24)28/h3-13,16-19H,14-15H2,1-2H3
InChIKeyTVUFWHKEONVZSI-UHFFFAOYSA-N
MW387.53 g/mol
LogP7.79
Rot. Bonds3

About N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine

N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine (PubChem CID 59308715) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine
PubChem CID59308715
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine
SMILESCC(C)N(c1ccc2c3c(cccc13)CC2)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C29H25N/c1-19(2)30(27-17-16-21-15-14-20-9-7-13-26(27)29(20)21)28-18-22-8-3-4-10-23(22)24-11-5-6-12-25(24)28/h3-13,16-19H,14-15H2,1-2H3
InChIKeyTVUFWHKEONVZSI-UHFFFAOYSA-N
XLogP7.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 57.79
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-phenanthren-9-yl-N-propan-2-ylphenanthren-9-amine
CID 59308162
1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine
CID 154448669
1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine
CID 18752250
N-(1,2-dihydroacenaphthylen-5-yl)-N-phenylacetamide
CID 1236292
anthracene;1,2-dihydroacenaphthylene;perylene
CID 161092336
N-methyl-N-naphthalen-1-ylphenanthren-9-amine
CID 18740121
1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
CID 54566292
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
1-(1,2-dihydroacenaphthylen-5-yl)-1,3-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
CID 22675602
1,2-dihydroacenaphthylene;perylene
CID 157201241
2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid
CID 112758068

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine (CID 59308715) is N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine is CC(C)N(c1ccc2c3c(cccc13)CC2)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine?
The InChIKey is TVUFWHKEONVZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N/c1-19(2)30(27-17-16-21-15-14-20-9-7-13-26(27)29(20)21)28-18-22-8-3-4-10-23(22)24-11-5-6-12-25(24)28/h3-13,16-19H,14-15H2,1-2H3.
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine?
N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine has a molecular weight of 387.53 g/mol, XLogP of 7.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-N-propan-2-ylphenanthren-9-amine is sourced from PubChem (CID 59308715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).