2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene

C50H44 — CID 58830813

IUPAC2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
SMILESCC(C)(C)c1ccc2c(-c3ccccc3-c3ccccc3)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c2c1
InChIInChI=1S/C50H44/c1-49(2,3)39-27-29-44-45(31-39)47(36-23-20-34(21-24-36)38-25-22-33-14-10-11-17-37(33)30-38)43-28-26-40(50(4,5)6)32-46(43)48(44)42-19-13-12-18-41(42)35-15-8-7-9-16-35/h7-32H,1-6H3
InChIKeyPUMUWPBONBSUGG-UHFFFAOYSA-N
MW644.90 g/mol
LogP14.41
Rot. Bonds4

About 2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene

2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene (PubChem CID 58830813) has the molecular formula C50H44 and a molecular weight of 644.90 g/mol. Its IUPAC name is 2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
PubChem CID58830813
Molecular FormulaC50H44
Molecular Weight644.90 g/mol
Exact Mass644.34
IUPAC Name2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
SMILESCC(C)(C)c1ccc2c(-c3ccccc3-c3ccccc3)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c2c1
InChIInChI=1S/C50H44/c1-49(2,3)39-27-29-44-45(31-39)47(36-23-20-34(21-24-36)38-25-22-33-14-10-11-17-37(33)30-38)43-28-26-40(50(4,5)6)32-46(43)48(44)42-19-13-12-18-41(42)35-15-8-7-9-16-35/h7-32H,1-6H3
InChIKeyPUMUWPBONBSUGG-UHFFFAOYSA-N
XLogP14.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.90
LogP ≤ 514.41
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-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-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 157283651
2-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2-tert-butyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;2-tert-butyl-9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-yl-2-phenylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 161266075
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-trimethylsilane;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(2-naphthalen-2-ylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;trimethyl-[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]silane
CID 165062503
2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 158638548
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 23154901
2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-(4-phenylphenyl)anthracene;(9,10-dinaphthalen-1-ylanthracen-2-yl)-trimethylsilane;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-10-naphthalen-1-yl-9-(4-phenylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene
CID 159667570
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
2-tert-butyl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;1-methyl-9-(10-naphthalen-2-ylanthracen-9-yl)phenanthrene;9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;bis(9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene);9-phenanthren-9-yl-10-[6-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 162182447
2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;2-tert-butyl-9,10-diphenylanthracene;6-(9,10-dinaphthalen-1-ylanthracen-2-yl)benzene-1,2,3,4,5-pentol;9,10-dinaphthalen-2-yl-2-phenylanthracene;9,10-dinaphthalen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-methyl-9,10-dinaphthalen-2-ylanthracene;2-methyl-9,10-diphenylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-2-ylanthracene
CID 158490228

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene?
The IUPAC name of 2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene (CID 58830813) is 2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene.
What is the SMILES notation for 2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene?
The canonical SMILES for 2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene is CC(C)(C)c1ccc2c(-c3ccccc3-c3ccccc3)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c2c1.
What is the InChIKey of 2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene?
The InChIKey is PUMUWPBONBSUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44/c1-49(2,3)39-27-29-44-45(31-39)47(36-23-20-34(21-24-36)38-25-22-33-14-10-11-17-37(33)30-38)43-28-26-40(50(4,5)6)32-46(43)48(44)42-19-13-12-18-41(42)35-15-8-7-9-16-35/h7-32H,1-6H3.
What are the key properties of 2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene?
2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene has a molecular weight of 644.90 g/mol, XLogP of 14.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene is sourced from PubChem (CID 58830813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).