9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene

C58H38 — CID 58711316

IUPAC9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4ccccc4-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)c3)c3ccccc23)cc1
InChIInChI=1S/C58H38/c1-3-19-39(20-4-1)55-47-29-9-13-33-51(47)57(52-34-14-10-30-48(52)55)43-25-17-23-41(37-43)45-27-7-8-28-46(45)42-24-18-26-44(38-42)58-53-35-15-11-31-49(53)56(40-21-5-2-6-22-40)50-32-12-16-36-54(50)58/h1-38H
InChIKeyFEFNSEHPNDGQKZ-UHFFFAOYSA-N
MW734.94 g/mol
LogP16.30
Rot. Bonds6

About 9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene

9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene (PubChem CID 58711316) has the molecular formula C58H38 and a molecular weight of 734.94 g/mol. Its IUPAC name is 9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
PubChem CID58711316
Molecular FormulaC58H38
Molecular Weight734.94 g/mol
Exact Mass734.30
IUPAC Name9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4ccccc4-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)c3)c3ccccc23)cc1
InChIInChI=1S/C58H38/c1-3-19-39(20-4-1)55-47-29-9-13-33-51(47)57(52-34-14-10-30-48(52)55)43-25-17-23-41(37-43)45-27-7-8-28-46(45)42-24-18-26-44(38-42)58-53-35-15-11-31-49(53)56(40-21-5-2-6-22-40)50-32-12-16-36-54(50)58/h1-38H
InChIKeyFEFNSEHPNDGQKZ-UHFFFAOYSA-N
XLogP16.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.94
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837402
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706319
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965810
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene?
The IUPAC name of 9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene (CID 58711316) is 9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene.
What is the SMILES notation for 9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene?
The canonical SMILES for 9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene is c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccccc4-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)c3)c3ccccc23)cc1.
What is the InChIKey of 9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene?
The InChIKey is FEFNSEHPNDGQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38/c1-3-19-39(20-4-1)55-47-29-9-13-33-51(47)57(52-34-14-10-30-48(52)55)43-25-17-23-41(37-43)45-27-7-8-28-46(45)42-24-18-26-44(38-42)58-53-35-15-11-31-49(53)56(40-21-5-2-6-22-40)50-32-12-16-36-54(50)58/h1-38H.
What are the key properties of 9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene?
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene has a molecular weight of 734.94 g/mol, XLogP of 16.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene is sourced from PubChem (CID 58711316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).