9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene

C58H38 — CID 140855946

IUPAC9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6ccc(-c7c8ccccc8c(-c8cccc9ccccc89)c8ccccc78)cc6c5)c4)c3)c2)cc1
InChIInChI=1S/C58H38/c1-2-14-39(15-3-1)42-18-10-19-43(34-42)44-20-11-21-45(35-44)46-22-12-23-47(36-46)48-32-30-40-31-33-49(38-50(40)37-48)57-53-25-6-8-27-55(53)58(56-28-9-7-26-54(56)57)52-29-13-17-41-16-4-5-24-51(41)52/h1-38H
InChIKeyYXDSRNCBTUISRN-UHFFFAOYSA-N
MW734.94 g/mol
LogP16.30
Rot. Bonds6

About 9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene

9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene (PubChem CID 140855946) has the molecular formula C58H38 and a molecular weight of 734.94 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
PubChem CID140855946
Molecular FormulaC58H38
Molecular Weight734.94 g/mol
Exact Mass734.30
IUPAC Name9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6ccc(-c7c8ccccc8c(-c8cccc9ccccc89)c8ccccc78)cc6c5)c4)c3)c2)cc1
InChIInChI=1S/C58H38/c1-2-14-39(15-3-1)42-18-10-19-43(34-42)44-20-11-21-45(35-44)46-22-12-23-47(36-46)48-32-30-40-31-33-49(38-50(40)37-48)57-53-25-6-8-27-55(53)58(56-28-9-7-26-54(56)57)52-29-13-17-41-16-4-5-24-51(41)52/h1-38H
InChIKeyYXDSRNCBTUISRN-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

9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993
9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
CID 156677112
9-[7-(3,5-diphenylphenyl)naphthalen-2-yl]-10-(3-phenylphenyl)anthracene;9-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-(3-phenylphenyl)anthracene
CID 160659436
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
9-(3,5-diphenylphenyl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene
CID 159267964
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
9-[7-(2,4-diphenylphenyl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene
CID 123233888
9,10-bis(3,5-diphenylphenyl)anthracene;9,10-dinaphthalen-1-ylanthracene;9-(3,5-dinaphthalen-1-ylphenyl)-10-phenylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene
CID 160579417
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene (CID 140855946) is 9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene is c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6ccc(-c7c8ccccc8c(-c8cccc9ccccc89)c8ccccc78)cc6c5)c4)c3)c2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene?
The InChIKey is YXDSRNCBTUISRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38/c1-2-14-39(15-3-1)42-18-10-19-43(34-42)44-20-11-21-45(35-44)46-22-12-23-47(36-46)48-32-30-40-31-33-49(38-50(40)37-48)57-53-25-6-8-27-55(53)58(56-28-9-7-26-54(56)57)52-29-13-17-41-16-4-5-24-51(41)52/h1-38H.
What are the key properties of 9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene?
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-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-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene is sourced from PubChem (CID 140855946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).