9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene

C35H24 — CID 58099808

IUPAC9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
SMILESCc1c(-c2cc3ccccc3c3ccccc23)cccc1-c1cc2ccccc2c2ccccc12
InChIInChI=1S/C35H24/c1-23-26(34-21-24-11-2-4-13-28(24)30-15-6-8-17-32(30)34)19-10-20-27(23)35-22-25-12-3-5-14-29(25)31-16-7-9-18-33(31)35/h2-22H,1H3
InChIKeyGFKMEJWGGXONDC-UHFFFAOYSA-N
MW444.58 g/mol
LogP9.94
Rot. Bonds2

About 9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene

9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene (PubChem CID 58099808) has the molecular formula C35H24 and a molecular weight of 444.58 g/mol. Its IUPAC name is 9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene.

Molecular Properties

Compound Name9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
PubChem CID58099808
Molecular FormulaC35H24
Molecular Weight444.58 g/mol
Exact Mass444.19
IUPAC Name9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
SMILESCc1c(-c2cc3ccccc3c3ccccc23)cccc1-c1cc2ccccc2c2ccccc12
InChIInChI=1S/C35H24/c1-23-26(34-21-24-11-2-4-13-28(24)30-15-6-8-17-32(30)34)19-10-20-27(23)35-22-25-12-3-5-14-29(25)31-16-7-9-18-33(31)35/h2-22H,1H3
InChIKeyGFKMEJWGGXONDC-UHFFFAOYSA-N
XLogP9.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-1-ylphenanthrene
CID 20606742
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
9-(5-bromonaphthalen-1-yl)phenanthrene
CID 166985687
4-phenanthren-9-ylbenzo[a]anthracene
CID 59412790
9-phenanthren-9-ylphenanthren-1-ol
CID 88608615
1-(2,3-dimethylphenyl)phenanthrene
CID 175838627
9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 160967595
9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 59805302
5-anthracen-1-ylbenzo[a]anthracene
CID 123576317
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
9-(4-methyl-2,5-diphenylphenyl)phenanthrene
CID 167535758
9-(2-bromo-3-chlorophenyl)phenanthrene
CID 177274939

Frequently Asked Questions

What is the IUPAC name of 9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene?
The IUPAC name of 9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene (CID 58099808) is 9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene.
What is the SMILES notation for 9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene?
The canonical SMILES for 9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene is Cc1c(-c2cc3ccccc3c3ccccc23)cccc1-c1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene?
The InChIKey is GFKMEJWGGXONDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24/c1-23-26(34-21-24-11-2-4-13-28(24)30-15-6-8-17-32(30)34)19-10-20-27(23)35-22-25-12-3-5-14-29(25)31-16-7-9-18-33(31)35/h2-22H,1H3.
What are the key properties of 9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene?
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene has a molecular weight of 444.58 g/mol, XLogP of 9.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene is sourced from PubChem (CID 58099808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).