2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene

C58H50 — CID 59745944

IUPAC2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)c5ccc(-c6ccc(-c7ccc(C(C)(C)C)cc7)cc6)cc5c(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C58H50/c1-57(2,3)49-31-25-41(26-32-49)39-17-21-43(22-18-39)47-29-35-51-53(37-47)56(46-15-11-8-12-16-46)54-38-48(30-36-52(54)55(51)45-13-9-7-10-14-45)44-23-19-40(20-24-44)42-27-33-50(34-28-42)58(4,5)6/h7-38H,1-6H3
InChIKeyAXQBUISPCUQVGZ-UHFFFAOYSA-N
MW747.04 g/mol
LogP16.59
Rot. Bonds6

About 2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene

2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene (PubChem CID 59745944) has the molecular formula C58H50 and a molecular weight of 747.04 g/mol. Its IUPAC name is 2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene.

Molecular Properties

Compound Name2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
PubChem CID59745944
Molecular FormulaC58H50
Molecular Weight747.04 g/mol
Exact Mass746.39
IUPAC Name2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)c5ccc(-c6ccc(-c7ccc(C(C)(C)C)cc7)cc6)cc5c(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C58H50/c1-57(2,3)49-31-25-41(26-32-49)39-17-21-43(22-18-39)47-29-35-51-53(37-47)56(46-15-11-8-12-16-46)54-38-48(30-36-52(54)55(51)45-13-9-7-10-14-45)44-23-19-40(20-24-44)42-27-33-50(34-28-42)58(4,5)6/h7-38H,1-6H3
InChIKeyAXQBUISPCUQVGZ-UHFFFAOYSA-N
XLogP16.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.04
LogP ≤ 516.59
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

2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-tert-butyl-6-(4-methoxyphenyl)-9,10-bis(4-phenylphenyl)anthracene
CID 59002256
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691
3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
CID 161415057
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190
3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole
CID 158234538
3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole
CID 159993393
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;ethane;ethene
CID 162739404

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene?
The IUPAC name of 2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene (CID 59745944) is 2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene.
What is the SMILES notation for 2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene?
The canonical SMILES for 2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene is CC(C)(C)c1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)c5ccc(-c6ccc(-c7ccc(C(C)(C)C)cc7)cc6)cc5c(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene?
The InChIKey is AXQBUISPCUQVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50/c1-57(2,3)49-31-25-41(26-32-49)39-17-21-43(22-18-39)47-29-35-51-53(37-47)56(46-15-11-8-12-16-46)54-38-48(30-36-52(54)55(51)45-13-9-7-10-14-45)44-23-19-40(20-24-44)42-27-33-50(34-28-42)58(4,5)6/h7-38H,1-6H3.
What are the key properties of 2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene?
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene has a molecular weight of 747.04 g/mol, XLogP of 16.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene is sourced from PubChem (CID 59745944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).