1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine

C51H43N — CID 142592974

IUPAC1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine
SMILESCc1ccc(-c2c(-c3ccc4c(ccc5ccccc54)c3)ccc3ccccc23)cc1.Cc1cccc(-c2ccccc2)c1.NCc1ccccc1
InChIInChI=1S/C31H22.C13H12.C7H9N/c1-21-10-12-24(13-11-21)31-29-9-5-3-7-23(29)16-19-30(31)26-17-18-28-25(20-26)15-14-22-6-2-4-8-27(22)28;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;8-6-7-4-2-1-3-5-7/h2-20H,1H3;2-10H,1H3;1-5H,6,8H2
InChIKeyRRTGPLCLMPEIBY-UHFFFAOYSA-N
MW669.91 g/mol
LogP13.60
Rot. Bonds4

About 1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine

1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine (PubChem CID 142592974) has the molecular formula C51H43N and a molecular weight of 669.91 g/mol. Its IUPAC name is 1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine.

Molecular Properties

Compound Name1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine
PubChem CID142592974
Molecular FormulaC51H43N
Molecular Weight669.91 g/mol
Exact Mass669.34
IUPAC Name1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine
SMILESCc1ccc(-c2c(-c3ccc4c(ccc5ccccc54)c3)ccc3ccccc23)cc1.Cc1cccc(-c2ccccc2)c1.NCc1ccccc1
InChIInChI=1S/C31H22.C13H12.C7H9N/c1-21-10-12-24(13-11-21)31-29-9-5-3-7-23(29)16-19-30(31)26-17-18-28-25(20-26)15-14-22-6-2-4-8-27(22)28;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;8-6-7-4-2-1-3-5-7/h2-20H,1H3;2-10H,1H3;1-5H,6,8H2
InChIKeyRRTGPLCLMPEIBY-UHFFFAOYSA-N
XLogP13.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.91
LogP ≤ 513.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene
CID 145415013
ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene
CID 142592981
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
6-[1-(4-phenylphenyl)naphthalen-2-yl]naphthalen-2-amine
CID 175272921
2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58894893
1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413034
2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
CID 145414946
bis(2-methylnaphthalene);2-methyl-6-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 159938437
9-methyl-10-phenylanthracene;1-[3-(3-methylphenyl)-5-naphthalen-1-ylphenyl]naphthalene;1-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]naphthalene;2-[3-(3-methylphenyl)-5-naphthalen-2-ylphenyl]naphthalene;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]naphthalene
CID 158361137
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine?
The IUPAC name of 1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine (CID 142592974) is 1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine.
What is the SMILES notation for 1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine?
The canonical SMILES for 1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine is Cc1ccc(-c2c(-c3ccc4c(ccc5ccccc54)c3)ccc3ccccc23)cc1.Cc1cccc(-c2ccccc2)c1.NCc1ccccc1.
What is the InChIKey of 1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine?
The InChIKey is RRTGPLCLMPEIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22.C13H12.C7H9N/c1-21-10-12-24(13-11-21)31-29-9-5-3-7-23(29)16-19-30(31)26-17-18-28-25(20-26)15-14-22-6-2-4-8-27(22)28;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;8-6-7-4-2-1-3-5-7/h2-20H,1H3;2-10H,1H3;1-5H,6,8H2.
What are the key properties of 1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine?
1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine has a molecular weight of 669.91 g/mol, XLogP of 13.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylbenzene;2-[1-(4-methylphenyl)naphthalen-2-yl]phenanthrene;phenylmethanamine is sourced from PubChem (CID 142592974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).