3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene

C47H32 — CID 177264885

IUPAC3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
SMILESc1ccc(-c2ccc3cc(-c4c5ccccc5c(Cc5ccccc5-c5ccccc5)c5ccccc45)c4ccccc4c3c2)cc1
InChIInChI=1S/C47H32/c1-3-15-32(16-4-1)34-27-28-36-31-46(39-22-10-9-21-38(39)44(36)29-34)47-42-25-13-11-23-40(42)45(41-24-12-14-26-43(41)47)30-35-19-7-8-20-37(35)33-17-5-2-6-18-33/h1-29,31H,30H2
InChIKeyXIXQDSTYLPQXIA-UHFFFAOYSA-N
MW596.77 g/mol
LogP12.89
Rot. Bonds5

About 3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene

3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene (PubChem CID 177264885) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene.

Molecular Properties

Compound Name3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
PubChem CID177264885
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
SMILESc1ccc(-c2ccc3cc(-c4c5ccccc5c(Cc5ccccc5-c5ccccc5)c5ccccc45)c4ccccc4c3c2)cc1
InChIInChI=1S/C47H32/c1-3-15-32(16-4-1)34-27-28-36-31-46(39-22-10-9-21-38(39)44(36)29-34)47-42-25-13-11-23-40(42)45(41-24-12-14-26-43(41)47)30-35-19-7-8-20-37(35)33-17-5-2-6-18-33/h1-29,31H,30H2
InChIKeyXIXQDSTYLPQXIA-UHFFFAOYSA-N
XLogP12.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 512.89
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

9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene
CID 177265103
9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene
CID 176862355
4-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
CID 177265101
9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene
CID 177264907
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858
2-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 176754857
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
8,13-dinaphthalen-1-yl-2,6-diphenylbenzo[a]tetracene
CID 123219692
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene
CID 58323367
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene?
The IUPAC name of 3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene (CID 177264885) is 3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene.
What is the SMILES notation for 3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene?
The canonical SMILES for 3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene is c1ccc(-c2ccc3cc(-c4c5ccccc5c(Cc5ccccc5-c5ccccc5)c5ccccc45)c4ccccc4c3c2)cc1.
What is the InChIKey of 3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene?
The InChIKey is XIXQDSTYLPQXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-3-15-32(16-4-1)34-27-28-36-31-46(39-22-10-9-21-38(39)44(36)29-34)47-42-25-13-11-23-40(42)45(41-24-12-14-26-43(41)47)30-35-19-7-8-20-37(35)33-17-5-2-6-18-33/h1-29,31H,30H2.
What are the key properties of 3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene?
3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene has a molecular weight of 596.77 g/mol, XLogP of 12.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene is sourced from PubChem (CID 177264885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).