9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene

C58H38 — CID 140754630

IUPAC9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5)cc4)c4ccccc34)cc3ccccc23)cc1
InChIInChI=1S/C58H38/c1-2-13-45(14-3-1)56-38-50(37-49-16-6-7-17-51(49)56)58-54-20-10-8-18-52(54)57(53-19-9-11-21-55(53)58)46-33-30-43(31-34-46)41-24-22-40(23-25-41)42-26-28-44(29-27-42)48-35-32-39-12-4-5-15-47(39)36-48/h1-38H
InChIKeySIKIXDFHBGKSIW-UHFFFAOYSA-N
MW734.94 g/mol
LogP16.30
Rot. Bonds6

About 9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene

9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene (PubChem CID 140754630) has the molecular formula C58H38 and a molecular weight of 734.94 g/mol. Its IUPAC name is 9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
PubChem CID140754630
Molecular FormulaC58H38
Molecular Weight734.94 g/mol
Exact Mass734.30
IUPAC Name9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5)cc4)c4ccccc34)cc3ccccc23)cc1
InChIInChI=1S/C58H38/c1-2-13-45(14-3-1)56-38-50(37-49-16-6-7-17-51(49)56)58-54-20-10-8-18-52(54)57(53-19-9-11-21-55(53)58)46-33-30-43(31-34-46)41-24-22-40(23-25-41)42-26-28-44(29-27-42)48-35-32-39-12-4-5-15-47(39)36-48/h1-38H
InChIKeySIKIXDFHBGKSIW-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-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 123234809
9-(5-naphthalen-2-yl-2-phenylphenyl)-10-(4-phenylphenyl)anthracene
CID 176775937
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(4-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(5-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(7-phenylnaphthalen-2-yl)phenyl]anthracene;9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-[4-(8-phenylnaphthalen-2-yl)phenyl]anthracene
CID 160679060
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 157105875
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123334632
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 161131758

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene?
The IUPAC name of 9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene (CID 140754630) is 9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene.
What is the SMILES notation for 9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene?
The canonical SMILES for 9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene is c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5)cc4)c4ccccc34)cc3ccccc23)cc1.
What is the InChIKey of 9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene?
The InChIKey is SIKIXDFHBGKSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38/c1-2-13-45(14-3-1)56-38-50(37-49-16-6-7-17-51(49)56)58-54-20-10-8-18-52(54)57(53-19-9-11-21-55(53)58)46-33-30-43(31-34-46)41-24-22-40(23-25-41)42-26-28-44(29-27-42)48-35-32-39-12-4-5-15-47(39)36-48/h1-38H.
What are the key properties of 9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene?
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)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-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 140754630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).