2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene

C41H28 — CID 59856401

IUPAC2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene
SMILESCc1ccc2c(-c3cccc4c3ccc3ccccc34)c3ccccc3c(-c3cccc(-c4ccccc4)c3)c2c1
InChIInChI=1S/C41H28/c1-27-21-23-38-39(25-27)40(31-15-9-14-30(26-31)28-11-3-2-4-12-28)36-17-7-8-18-37(36)41(38)35-20-10-19-33-32-16-6-5-13-29(32)22-24-34(33)35/h2-26H,1H3
InChIKeyLSUZGRONYQZVGM-UHFFFAOYSA-N
MW520.68 g/mol
LogP11.61
Rot. Bonds3

About 2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene

2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene (PubChem CID 59856401) has the molecular formula C41H28 and a molecular weight of 520.68 g/mol. Its IUPAC name is 2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene
PubChem CID59856401
Molecular FormulaC41H28
Molecular Weight520.68 g/mol
Exact Mass520.22
IUPAC Name2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene
SMILESCc1ccc2c(-c3cccc4c3ccc3ccccc34)c3ccccc3c(-c3cccc(-c4ccccc4)c3)c2c1
InChIInChI=1S/C41H28/c1-27-21-23-38-39(25-27)40(31-15-9-14-30(26-31)28-11-3-2-4-12-28)36-17-7-8-18-37(36)41(38)35-20-10-19-33-32-16-6-5-13-29(32)22-24-34(33)35/h2-26H,1H3
InChIKeyLSUZGRONYQZVGM-UHFFFAOYSA-N
XLogP11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-9-phenanthren-1-yl-10-(3-phenylphenyl)anthracene
CID 59718307
2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
CID 59793052
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene
CID 162239926
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene?
The IUPAC name of 2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene (CID 59856401) is 2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene.
What is the SMILES notation for 2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene?
The canonical SMILES for 2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene is Cc1ccc2c(-c3cccc4c3ccc3ccccc34)c3ccccc3c(-c3cccc(-c4ccccc4)c3)c2c1.
What is the InChIKey of 2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene?
The InChIKey is LSUZGRONYQZVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28/c1-27-21-23-38-39(25-27)40(31-15-9-14-30(26-31)28-11-3-2-4-12-28)36-17-7-8-18-37(36)41(38)35-20-10-19-33-32-16-6-5-13-29(32)22-24-34(33)35/h2-26H,1H3.
What are the key properties of 2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene?
2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene has a molecular weight of 520.68 g/mol, XLogP of 11.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene is sourced from PubChem (CID 59856401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).