9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene

C58H38 — CID 59413167

IUPAC9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
SMILESc1ccc(-c2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6-c6ccccc6)c5)c5ccccc45)c3)ccc3ccccc23)cc1
InChIInChI=1S/C58H38/c1-3-19-41(20-4-1)55-47-27-9-7-17-39(47)33-35-49(55)43-23-15-25-45(37-43)57-51-29-11-13-31-53(51)58(54-32-14-12-30-52(54)57)46-26-16-24-44(38-46)50-36-34-40-18-8-10-28-48(40)56(50)42-21-5-2-6-22-42/h1-38H
InChIKeyKVOVSZXZNVSXSN-UHFFFAOYSA-N
MW734.94 g/mol
LogP16.30
Rot. Bonds6

About 9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene

9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene (PubChem CID 59413167) has the molecular formula C58H38 and a molecular weight of 734.94 g/mol. Its IUPAC name is 9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene.

Molecular Properties

Compound Name9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
PubChem CID59413167
Molecular FormulaC58H38
Molecular Weight734.94 g/mol
Exact Mass734.30
IUPAC Name9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
SMILESc1ccc(-c2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6-c6ccccc6)c5)c5ccccc45)c3)ccc3ccccc23)cc1
InChIInChI=1S/C58H38/c1-3-19-41(20-4-1)55-47-27-9-7-17-39(47)33-35-49(55)43-23-15-25-45(37-43)57-51-29-11-13-31-53(51)58(54-32-14-12-30-52(54)57)46-26-16-24-44(38-46)50-36-34-40-18-8-10-28-48(40)56(50)42-21-5-2-6-22-42/h1-38H
InChIKeyKVOVSZXZNVSXSN-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-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413034
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837284
9-[7-naphthalen-2-yl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-10-phenylanthracene
CID 144837172
1,2-diphenylnaphthalene
CID 11208267
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-phenyl-10-[7-phenyl-8-[4-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837407
9-(2-phenylnaphthalen-1-yl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(7-phenylnaphthalen-1-yl)-10-[2-(3-phenylphenyl)phenyl]anthracene;9-(7-phenylnaphthalen-1-yl)-10-[3-(3-phenylphenyl)phenyl]anthracene;9-(7-phenylnaphthalen-1-yl)-10-[3-(4-phenylphenyl)phenyl]anthracene;9-(7-phenylnaphthalen-1-yl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 167593717
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
5,12-bis(1-phenylnaphthalen-2-yl)tetracene
CID 123352239

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene?
The IUPAC name of 9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene (CID 59413167) is 9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene.
What is the SMILES notation for 9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene?
The canonical SMILES for 9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene is c1ccc(-c2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6-c6ccccc6)c5)c5ccccc45)c3)ccc3ccccc23)cc1.
What is the InChIKey of 9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene?
The InChIKey is KVOVSZXZNVSXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38/c1-3-19-41(20-4-1)55-47-27-9-7-17-39(47)33-35-49(55)43-23-15-25-45(37-43)57-51-29-11-13-31-53(51)58(54-32-14-12-30-52(54)57)46-26-16-24-44(38-46)50-36-34-40-18-8-10-28-48(40)56(50)42-21-5-2-6-22-42/h1-38H.
What are the key properties of 9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene?
9,10-bis[3-(1-phenylnaphthalen-2-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 9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene is sourced from PubChem (CID 59413167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).