2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene

C46H38 — CID 57411141

IUPAC2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
SMILESCc1ccc2cccc(C)c2c1-c1c2ccccc2c(-c2cccc(-c3cccc4ccccc34)c2)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C46H38/c1-29-13-10-16-32-24-23-30(2)43(42(29)32)45-39-21-9-8-20-38(39)44(40-26-25-35(28-41(40)45)46(3,4)5)34-18-11-17-33(27-34)37-22-12-15-31-14-6-7-19-36(31)37/h6-28H,1-5H3
InChIKeyKJZNNPMUCMAVSF-UHFFFAOYSA-N
MW590.81 g/mol
LogP13.21
Rot. Bonds3

About 2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene

2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene (PubChem CID 57411141) has the molecular formula C46H38 and a molecular weight of 590.81 g/mol. Its IUPAC name is 2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
PubChem CID57411141
Molecular FormulaC46H38
Molecular Weight590.81 g/mol
Exact Mass590.30
IUPAC Name2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
SMILESCc1ccc2cccc(C)c2c1-c1c2ccccc2c(-c2cccc(-c3cccc4ccccc34)c2)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C46H38/c1-29-13-10-16-32-24-23-30(2)43(42(29)32)45-39-21-9-8-20-38(39)44(40-26-25-35(28-41(40)45)46(3,4)5)34-18-11-17-33(27-34)37-22-12-15-31-14-6-7-19-36(31)37/h6-28H,1-5H3
InChIKeyKJZNNPMUCMAVSF-UHFFFAOYSA-N
XLogP13.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.81
LogP ≤ 513.21
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
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-[4-(2-methylphenyl)naphthalen-1-yl]-10-naphthalen-1-ylanthracene
CID 58895436
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-tert-butyl-9-naphthalen-2-yl-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965769
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
1-(3-tert-butyl-10-phenylanthracen-9-yl)pyrene
CID 140869475
[9,10-bis(3-naphthalen-1-ylphenyl)-6-trimethylsilylanthracen-2-yl]-trimethylsilane;2,6-ditert-butyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;2,6-dimethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9-(6-methylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;9-(4-methylphenyl)-10-(4-phenylphenyl)anthracene
CID 158492606
9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
CID 58194379
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]-3-naphthalen-2-ylcarbazole;3-naphthalen-1-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-naphthalen-2-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 161107291
[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-trimethylsilane;2-tert-butyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;2-tert-butyl-10-naphthalen-1-yl-9-(4-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,6-dimethyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2-methyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;trimethyl-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]silane;trimethyl-[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]silane
CID 157112503

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene (CID 57411141) is 2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene is Cc1ccc2cccc(C)c2c1-c1c2ccccc2c(-c2cccc(-c3cccc4ccccc34)c2)c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene?
The InChIKey is KJZNNPMUCMAVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38/c1-29-13-10-16-32-24-23-30(2)43(42(29)32)45-39-21-9-8-20-38(39)44(40-26-25-35(28-41(40)45)46(3,4)5)34-18-11-17-33(27-34)37-22-12-15-31-14-6-7-19-36(31)37/h6-28H,1-5H3.
What are the key properties of 2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene?
2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene has a molecular weight of 590.81 g/mol, XLogP of 13.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-(2,8-dimethylnaphthalen-1-yl)-10-(3-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 57411141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).