2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene

C52H34 — CID 173204164

IUPAC2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
SMILESc1ccc(-c2cc3cc4ccccc4cc3c(-c3ccccc3)c2-c2c(-c3ccccc3)cc3cc4ccccc4cc3c2-c2ccccc2)cc1
InChIInChI=1S/C52H34/c1-5-17-35(18-6-1)45-33-43-29-39-25-13-15-27-41(39)31-47(43)49(37-21-9-3-10-22-37)51(45)52-46(36-19-7-2-8-20-36)34-44-30-40-26-14-16-28-42(40)32-48(44)50(52)38-23-11-4-12-24-38/h1-34H
InChIKeyQIHQOFPCJTTZMF-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene

2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene (PubChem CID 173204164) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene.

Molecular Properties

Compound Name2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
PubChem CID173204164
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
SMILESc1ccc(-c2cc3cc4ccccc4cc3c(-c3ccccc3)c2-c2c(-c3ccccc3)cc3cc4ccccc4cc3c2-c2ccccc2)cc1
InChIInChI=1S/C52H34/c1-5-17-35(18-6-1)45-33-43-29-39-25-13-15-27-41(39)31-47(43)49(37-21-9-3-10-22-37)51(45)52-46(36-19-7-2-8-20-36)34-44-30-40-26-14-16-28-42(40)32-48(44)50(52)38-23-11-4-12-24-38/h1-34H
InChIKeyQIHQOFPCJTTZMF-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 514.63
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

2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene
CID 150895090
2,3-dinaphthalen-1-yl-1-phenylanthracene
CID 151512335
1,2-diphenylpentacene
CID 22247158
6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine
CID 174888728
14-phenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22(27),23,25-pentadecaene
CID 123540206
2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine
CID 150445495
1-(2,3-diphenylphenyl)anthracene
CID 151584978
2,3,6,8,9,11-hexakis-phenyl-1-(2-phenylphenyl)tetracene
CID 173292165
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
hydron;1-phenylanthracene
CID 174351162
1-(2-phenylphenyl)anthracene
CID 21435778
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene?
The IUPAC name of 2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene (CID 173204164) is 2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene.
What is the SMILES notation for 2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene?
The canonical SMILES for 2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene is c1ccc(-c2cc3cc4ccccc4cc3c(-c3ccccc3)c2-c2c(-c3ccccc3)cc3cc4ccccc4cc3c2-c2ccccc2)cc1.
What is the InChIKey of 2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene?
The InChIKey is QIHQOFPCJTTZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-5-17-35(18-6-1)45-33-43-29-39-25-13-15-27-41(39)31-47(43)49(37-21-9-3-10-22-37)51(45)52-46(36-19-7-2-8-20-36)34-44-30-40-26-14-16-28-42(40)32-48(44)50(52)38-23-11-4-12-24-38/h1-34H.
What are the key properties of 2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene?
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene has a molecular weight of 658.84 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene is sourced from PubChem (CID 173204164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).