2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene

C44H40 — CID 140869785

IUPAC2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
SMILESCC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C44H40/c1-43(2,3)31-22-24-38-39(27-31)41(30-17-11-8-12-18-30)37-23-21-32(44(4,5)6)28-40(37)42(38)36-26-25-33(29-15-9-7-10-16-29)34-19-13-14-20-35(34)36/h7-28H,1-6H3
InChIKeyKMIUWSZAYGCMKC-UHFFFAOYSA-N
MW568.80 g/mol
LogP12.74
Rot. Bonds3

About 2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene

2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 140869785) has the molecular formula C44H40 and a molecular weight of 568.80 g/mol. Its IUPAC name is 2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
PubChem CID140869785
Molecular FormulaC44H40
Molecular Weight568.80 g/mol
Exact Mass568.31
IUPAC Name2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
SMILESCC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C44H40/c1-43(2,3)31-22-24-38-39(27-31)41(30-17-11-8-12-18-30)37-23-21-32(44(4,5)6)28-40(37)42(38)36-26-25-33(29-15-9-7-10-16-29)34-19-13-14-20-35(34)36/h7-28H,1-6H3
InChIKeyKMIUWSZAYGCMKC-UHFFFAOYSA-N
XLogP12.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.80
LogP ≤ 512.74
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-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
3-[4-[2-tert-butyl-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyridine
CID 118901587
1-(3-tert-butyl-10-phenylanthracen-9-yl)pyrene
CID 140869475
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
4-(3-tert-butyl-10-phenylanthracen-9-yl)-7-methylbenzo[a]anthracene
CID 123739024
2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58830813
6-tert-butyl-3,4-diphenylnaphthalen-1-ol
CID 138969967
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
3,9-ditert-butyl-1,6-bis(4-tert-butylphenyl)-5,11-diphenyltetracene
CID 158976148
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (CID 140869785) is 2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene is CC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3cc(C(C)(C)C)ccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?
The InChIKey is KMIUWSZAYGCMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40/c1-43(2,3)31-22-24-38-39(27-31)41(30-17-11-8-12-18-30)37-23-21-32(44(4,5)6)28-40(37)42(38)36-26-25-33(29-15-9-7-10-16-29)34-19-13-14-20-35(34)36/h7-28H,1-6H3.
What are the key properties of 2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?
2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 568.80 g/mol, XLogP of 12.74, 3 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-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 140869785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).