9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene

C58H38 — CID 59557543

IUPAC9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6cccc(-c7ccccc7)c6)c6ccccc56)cc4)c4ccccc34)c2)cc1
InChIInChI=1S/C58H38/c1-3-17-39(18-4-1)43-21-15-23-45(37-43)57-51-29-11-7-25-47(51)55(48-26-8-12-30-52(48)57)41-33-35-42(36-34-41)56-49-27-9-13-31-53(49)58(54-32-14-10-28-50(54)56)46-24-16-22-44(38-46)40-19-5-2-6-20-40/h1-38H
InChIKeyNVXBADJCNJWPLH-UHFFFAOYSA-N
MW734.94 g/mol
LogP16.30
Rot. Bonds6

About 9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene

9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene (PubChem CID 59557543) has the molecular formula C58H38 and a molecular weight of 734.94 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene.

Molecular Properties

Compound Name9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
PubChem CID59557543
Molecular FormulaC58H38
Molecular Weight734.94 g/mol
Exact Mass734.30
IUPAC Name9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6cccc(-c7ccccc7)c6)c6ccccc56)cc4)c4ccccc34)c2)cc1
InChIInChI=1S/C58H38/c1-3-17-39(18-4-1)43-21-15-23-45(37-43)57-51-29-11-7-25-47(51)55(48-26-8-12-30-52(48)57)41-33-35-42(36-34-41)56-49-27-9-13-31-53(49)58(54-32-14-10-28-50(54)56)46-24-16-22-44(38-46)40-19-5-2-6-20-40/h1-38H
InChIKeyNVXBADJCNJWPLH-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-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706350
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
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

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene?
The IUPAC name of 9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene (CID 59557543) is 9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene.
What is the SMILES notation for 9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene?
The canonical SMILES for 9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6cccc(-c7ccccc7)c6)c6ccccc56)cc4)c4ccccc34)c2)cc1.
What is the InChIKey of 9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene?
The InChIKey is NVXBADJCNJWPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38/c1-3-17-39(18-4-1)43-21-15-23-45(37-43)57-51-29-11-7-25-47(51)55(48-26-8-12-30-52(48)57)41-33-35-42(36-34-41)56-49-27-9-13-31-53(49)58(54-32-14-10-28-50(54)56)46-24-16-22-44(38-46)40-19-5-2-6-20-40/h1-38H.
What are the key properties of 9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene?
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]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-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene is sourced from PubChem (CID 59557543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).