9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene

C52H36 — CID 176862355

IUPAC9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene
SMILESc1ccc(-c2ccc3cccc(-c4c5ccccc5c(Cc5ccccc5Cc5cc6ccccc6c6ccccc56)c5ccccc45)c3c2)cc1
InChIInChI=1S/C52H36/c1-2-15-35(16-3-1)39-30-29-36-20-14-28-49(50(36)33-39)52-47-26-12-10-24-45(47)51(46-25-11-13-27-48(46)52)34-38-18-5-4-17-37(38)31-41-32-40-19-6-7-21-42(40)44-23-9-8-22-43(41)44/h1-30,32-33H,31,34H2
InChIKeyMXLULNAHYIDDOQ-UHFFFAOYSA-N
MW660.86 g/mol
LogP13.97
Rot. Bonds6

About 9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene

9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene (PubChem CID 176862355) has the molecular formula C52H36 and a molecular weight of 660.86 g/mol. Its IUPAC name is 9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene
PubChem CID176862355
Molecular FormulaC52H36
Molecular Weight660.86 g/mol
Exact Mass660.28
IUPAC Name9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene
SMILESc1ccc(-c2ccc3cccc(-c4c5ccccc5c(Cc5ccccc5Cc5cc6ccccc6c6ccccc56)c5ccccc45)c3c2)cc1
InChIInChI=1S/C52H36/c1-2-15-35(16-3-1)39-30-29-36-20-14-28-49(50(36)33-39)52-47-26-12-10-24-45(47)51(46-25-11-13-27-48(46)52)34-38-18-5-4-17-37(38)31-41-32-40-19-6-7-21-42(40)44-23-9-8-22-43(41)44/h1-30,32-33H,31,34H2
InChIKeyMXLULNAHYIDDOQ-UHFFFAOYSA-N
XLogP13.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 513.97
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

3-phenyl-9-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]phenanthrene
CID 177264885
9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene
CID 156677059
9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
CID 156677112
9-(10-phenylphenanthren-3-yl)-10-[(2-phenylphenyl)methyl]anthracene
CID 177265103
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene
CID 177264907
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
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
11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123226624
9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786914
9-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-1-yl-9-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-2-yl-9-phenanthren-2-yl-2-phenylanthracene
CID 161355195
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045

Frequently Asked Questions

What is the IUPAC name of 9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene (CID 176862355) is 9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene is c1ccc(-c2ccc3cccc(-c4c5ccccc5c(Cc5ccccc5Cc5cc6ccccc6c6ccccc56)c5ccccc45)c3c2)cc1.
What is the InChIKey of 9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene?
The InChIKey is MXLULNAHYIDDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36/c1-2-15-35(16-3-1)39-30-29-36-20-14-28-49(50(36)33-39)52-47-26-12-10-24-45(47)51(46-25-11-13-27-48(46)52)34-38-18-5-4-17-37(38)31-41-32-40-19-6-7-21-42(40)44-23-9-8-22-43(41)44/h1-30,32-33H,31,34H2.
What are the key properties of 9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene?
9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene has a molecular weight of 660.86 g/mol, XLogP of 13.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(phenanthren-9-ylmethyl)phenyl]methyl]-10-(7-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 176862355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).