2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene

C42H34 — CID 58672219

IUPAC2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
SMILESCC(C)(C)c1ccc2c(-c3cccc(-c4ccccc4)c3)c3ccccc3c(-c3cccc(-c4ccccc4)c3)c2c1
InChIInChI=1S/C42H34/c1-42(2,3)35-24-25-38-39(28-35)41(34-21-13-19-32(27-34)30-16-8-5-9-17-30)37-23-11-10-22-36(37)40(38)33-20-12-18-31(26-33)29-14-6-4-7-15-29/h4-28H,1-3H3
InChIKeyRNJUCCADRHSFOS-UHFFFAOYSA-N
MW538.73 g/mol
LogP11.96
Rot. Bonds4

About 2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene

2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene (PubChem CID 58672219) has the molecular formula C42H34 and a molecular weight of 538.73 g/mol. Its IUPAC name is 2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
PubChem CID58672219
Molecular FormulaC42H34
Molecular Weight538.73 g/mol
Exact Mass538.27
IUPAC Name2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
SMILESCC(C)(C)c1ccc2c(-c3cccc(-c4ccccc4)c3)c3ccccc3c(-c3cccc(-c4ccccc4)c3)c2c1
InChIInChI=1S/C42H34/c1-42(2,3)35-24-25-38-39(28-35)41(34-21-13-19-32(27-34)30-16-8-5-9-17-30)37-23-11-10-22-36(37)40(38)33-20-12-18-31(26-33)29-14-6-4-7-15-29/h4-28H,1-3H3
InChIKeyRNJUCCADRHSFOS-UHFFFAOYSA-N
XLogP11.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.73
LogP ≤ 511.96
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

3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole
CID 157143874
2-tert-butyl-9-naphthalen-2-yl-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965769
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190
2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
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
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
2-tert-butyl-6-(4-methoxyphenyl)-9,10-bis(4-phenylphenyl)anthracene
CID 59002256
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene?
The IUPAC name of 2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene (CID 58672219) is 2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene.
What is the SMILES notation for 2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene?
The canonical SMILES for 2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene is CC(C)(C)c1ccc2c(-c3cccc(-c4ccccc4)c3)c3ccccc3c(-c3cccc(-c4ccccc4)c3)c2c1.
What is the InChIKey of 2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene?
The InChIKey is RNJUCCADRHSFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34/c1-42(2,3)35-24-25-38-39(28-35)41(34-21-13-19-32(27-34)30-16-8-5-9-17-30)37-23-11-10-22-36(37)40(38)33-20-12-18-31(26-33)29-14-6-4-7-15-29/h4-28H,1-3H3.
What are the key properties of 2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene?
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene has a molecular weight of 538.73 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene is sourced from PubChem (CID 58672219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).