N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine

C35H25N — CID 140898016

IUPACN-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine
SMILESCc1cccc(N(c2ccc3c(ccc4ccccc43)c2)c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C35H25N/c1-24-8-6-11-28(22-24)36(29-19-21-32-27(23-29)17-16-25-9-2-4-12-30(25)32)35-15-7-14-33-31-13-5-3-10-26(31)18-20-34(33)35/h2-23H,1H3
InChIKeyIILVLPJOUMDULX-UHFFFAOYSA-N
MW459.59 g/mol
LogP10.08
Rot. Bonds3

About N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine

N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine (PubChem CID 140898016) has the molecular formula C35H25N and a molecular weight of 459.59 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine
PubChem CID140898016
Molecular FormulaC35H25N
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC NameN-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine
SMILESCc1cccc(N(c2ccc3c(ccc4ccccc43)c2)c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C35H25N/c1-24-8-6-11-28(22-24)36(29-19-21-32-27(23-29)17-16-25-9-2-4-12-30(25)32)35-15-7-14-33-31-13-5-3-10-26(31)18-20-34(33)35/h2-23H,1H3
InChIKeyIILVLPJOUMDULX-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,N-bis(3-methylphenyl)chrysen-6-amine
CID 23520689
N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine
CID 140898025
N-(3-methylphenyl)-N-phenanthren-9-ylphenanthren-4-amine
CID 140898012
N-(4-methylphenyl)-N-phenylphenanthren-1-amine
CID 140898022
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061
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-[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
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066
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;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
N-(4-fluorophenyl)-N-(3-methylphenyl)naphthalen-1-amine
CID 15808211
2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine
CID 58807472
1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine
CID 18941763

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine?
The IUPAC name of N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine (CID 140898016) is N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine.
What is the SMILES notation for N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine?
The canonical SMILES for N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine is Cc1cccc(N(c2ccc3c(ccc4ccccc43)c2)c2cccc3c2ccc2ccccc23)c1.
What is the InChIKey of N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine?
The InChIKey is IILVLPJOUMDULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N/c1-24-8-6-11-28(22-24)36(29-19-21-32-27(23-29)17-16-25-9-2-4-12-30(25)32)35-15-7-14-33-31-13-5-3-10-26(31)18-20-34(33)35/h2-23H,1H3.
What are the key properties of N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine?
N-(3-methylphenyl)-N-phenanthren-2-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-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine is sourced from PubChem (CID 140898016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).