N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine

C35H25N — CID 140898025

IUPACN-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine
SMILESCc1cccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3ccc4ccccc4c3c2)c1
InChIInChI=1S/C35H25N/c1-24-7-6-10-29(21-24)36(30-19-20-34-28(22-30)16-15-25-8-2-4-11-32(25)34)31-18-17-27-14-13-26-9-3-5-12-33(26)35(27)23-31/h2-23H,1H3
InChIKeyQZWWZZKPPXVRAD-UHFFFAOYSA-N
MW459.59 g/mol
LogP10.08
Rot. Bonds3

About N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine

N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine (PubChem CID 140898025) has the molecular formula C35H25N and a molecular weight of 459.59 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine
PubChem CID140898025
Molecular FormulaC35H25N
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC NameN-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine
SMILESCc1cccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3ccc4ccccc4c3c2)c1
InChIInChI=1S/C35H25N/c1-24-7-6-10-29(21-24)36(30-19-20-34-28(22-30)16-15-25-8-2-4-11-32(25)34)31-18-17-27-14-13-26-9-3-5-12-33(26)35(27)23-31/h2-23H,1H3
InChIKeyQZWWZZKPPXVRAD-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-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine
CID 140898016
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine
CID 170136248
N,N-bis(3-methylphenyl)chrysen-6-amine
CID 23520689
1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine
CID 18941763
N-(3-methylphenyl)-N-phenanthren-9-ylphenanthren-4-amine
CID 140898012
1-N-[4-[4-(4-methylanilino)-N-phenanthren-2-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338013
N-[4-[4-[4-(3-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-(3-methylphenyl)naphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 157153333
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine
CID 170410338

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine?
The IUPAC name of N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine (CID 140898025) is N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine?
The canonical SMILES for N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine is Cc1cccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3ccc4ccccc4c3c2)c1.
What is the InChIKey of N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine?
The InChIKey is QZWWZZKPPXVRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N/c1-24-7-6-10-29(21-24)36(30-19-20-34-28(22-30)16-15-25-8-2-4-11-32(25)34)31-18-17-27-14-13-26-9-3-5-12-33(26)35(27)23-31/h2-23H,1H3.
What are the key properties of N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine?
N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-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-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine is sourced from PubChem (CID 140898025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).