N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine

C35H25N — CID 140898010

IUPACN-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine
SMILESCc1ccccc1N(c1cccc2c1ccc1ccccc12)c1cccc2ccc3ccccc3c12
InChIInChI=1S/C35H25N/c1-24-10-2-7-17-32(24)36(33-18-9-16-30-28-14-5-3-11-25(28)22-23-31(30)33)34-19-8-13-27-21-20-26-12-4-6-15-29(26)35(27)34/h2-23H,1H3
InChIKeyMSTMJMCRWQFHPH-UHFFFAOYSA-N
MW459.59 g/mol
LogP10.08
Rot. Bonds3

About N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine

N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine (PubChem CID 140898010) has the molecular formula C35H25N and a molecular weight of 459.59 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine
PubChem CID140898010
Molecular FormulaC35H25N
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC NameN-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine
SMILESCc1ccccc1N(c1cccc2c1ccc1ccccc12)c1cccc2ccc3ccccc3c12
InChIInChI=1S/C35H25N/c1-24-10-2-7-17-32(24)36(33-18-9-16-30-28-14-5-3-11-25(28)22-23-31(30)33)34-19-8-13-27-21-20-26-12-4-6-15-29(26)35(27)34/h2-23H,1H3
InChIKeyMSTMJMCRWQFHPH-UHFFFAOYSA-N
XLogP10.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 510.08
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-(4-methylphenyl)-N-phenylphenanthren-1-amine
CID 140898022
N-(3-methylphenyl)-N-phenanthren-9-ylphenanthren-4-amine
CID 140898012
1-N,3-N-bis(2-methylphenyl)-1-N,3-N-di(pyren-1-yl)benzene-1,3-diamine
CID 15220908
N,N-bis(2-methylphenyl)-1-naphthalen-1-ylnaphthalen-2-amine
CID 164774492
N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine
CID 140898016
methane;1-methylphenanthrene
CID 175001905
N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine
CID 121325395
benzo[c]phenanthrene;chrysene
CID 161372898
1-N,1-N,3-N,3-N,6-N,6-N-hexanaphthalen-1-ylpyrene-1,3,6-triamine
CID 176881422
1-(2-methylphenyl)picene
CID 173138076
1-N,6-N-bis[5-(2,6-dimethylphenyl)-2-methylphenyl]-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine
CID 129062643
1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene
CID 158709590

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine?
The IUPAC name of N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine (CID 140898010) is N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine.
What is the SMILES notation for N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine?
The canonical SMILES for N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine is Cc1ccccc1N(c1cccc2c1ccc1ccccc12)c1cccc2ccc3ccccc3c12.
What is the InChIKey of N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine?
The InChIKey is MSTMJMCRWQFHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N/c1-24-10-2-7-17-32(24)36(33-18-9-16-30-28-14-5-3-11-25(28)22-23-31(30)33)34-19-8-13-27-21-20-26-12-4-6-15-29(26)35(27)34/h2-23H,1H3.
What are the key properties of N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine?
N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine has a molecular weight of 459.59 g/mol, XLogP of 10.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-phenanthren-4-ylphenanthren-1-amine is sourced from PubChem (CID 140898010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).