1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene

C211H224 — CID 158277203

IUPAC1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene
SMILESCC(C)(C)c1c2ccccc2cc2ccccc12.CC(C)(C)c1ccc2cc3ccccc3cc2c1.CC(C)(C)c1cccc2cc3ccccc3cc12.Cc1c2ccccc2c(C(C)(C)C)c2ccccc12.Cc1c2ccccc2c(C)c2c(C(C)(C)C)cccc12.Cc1c2ccccc2c(C)c2cc(C(C)(C)C)ccc12.Cc1c2ccccc2cc2c(C(C)(C)C)cccc12.Cc1c2ccccc2cc2cc(C(C)(C)C)ccc12.Cc1c2ccccc2cc2ccc(C(C)(C)C)cc12.Cc1cccc2c(C(C)(C)C)c3cccc(C)c3c(C)c12.Cc1cccc2c(C(C)(C)C)c3cccc(C)c3cc12
InChIInChI=1S/C21H24.3C20H22.4C19H20.3C18H18/c1-13-9-7-11-16-18(13)15(3)19-14(2)10-8-12-17(19)20(16)21(4,5)6;1-13-8-6-10-15-17(13)12-18-14(2)9-7-11-16(18)19(15)20(3,4)5;1-13-15-9-6-7-10-16(15)14(2)19-17(13)11-8-12-18(19)20(3,4)5;1-13-16-8-6-7-9-17(16)14(2)19-12-15(20(3,4)5)10-11-18(13)19;1-13-14-9-5-7-11-16(14)18(19(2,3)4)17-12-8-6-10-15(13)17;1-13-15-9-6-5-8-14(15)12-17-16(13)10-7-11-18(17)19(2,3)4;1-13-17-8-6-5-7-14(17)11-15-12-16(19(2,3)4)9-10-18(13)15;1-13-17-8-6-5-7-14(17)11-15-9-10-16(12-18(13)15)19(2,3)4;1-18(2,3)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17;1-18(2,3)17-10-6-9-15-11-13-7-4-5-8-14(13)12-16(15)17;1-18(2,3)17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h7-12H,1-6H3;3*6-12H,1-5H3;4*5-12H,1-4H3;3*4-12H,1-3H3
InChIKeyGJTFRNRNOLBHNT-UHFFFAOYSA-N
MW2760.11 g/mol
LogP62.20
Rot. Bonds

About 1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene

1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene (PubChem CID 158277203) has the molecular formula C211H224 and a molecular weight of 2760.11 g/mol. Its IUPAC name is 1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene.

Molecular Properties

Compound Name1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene
PubChem CID158277203
Molecular FormulaC211H224
Molecular Weight2760.11 g/mol
Exact Mass2757.75
IUPAC Name1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene
SMILESCC(C)(C)c1c2ccccc2cc2ccccc12.CC(C)(C)c1ccc2cc3ccccc3cc2c1.CC(C)(C)c1cccc2cc3ccccc3cc12.Cc1c2ccccc2c(C(C)(C)C)c2ccccc12.Cc1c2ccccc2c(C)c2c(C(C)(C)C)cccc12.Cc1c2ccccc2c(C)c2cc(C(C)(C)C)ccc12.Cc1c2ccccc2cc2c(C(C)(C)C)cccc12.Cc1c2ccccc2cc2cc(C(C)(C)C)ccc12.Cc1c2ccccc2cc2ccc(C(C)(C)C)cc12.Cc1cccc2c(C(C)(C)C)c3cccc(C)c3c(C)c12.Cc1cccc2c(C(C)(C)C)c3cccc(C)c3cc12
InChIInChI=1S/C21H24.3C20H22.4C19H20.3C18H18/c1-13-9-7-11-16-18(13)15(3)19-14(2)10-8-12-17(19)20(16)21(4,5)6;1-13-8-6-10-15-17(13)12-18-14(2)9-7-11-16(18)19(15)20(3,4)5;1-13-15-9-6-7-10-16(15)14(2)19-17(13)11-8-12-18(19)20(3,4)5;1-13-16-8-6-7-9-17(16)14(2)19-12-15(20(3,4)5)10-11-18(13)19;1-13-14-9-5-7-11-16(14)18(19(2,3)4)17-12-8-6-10-15(13)17;1-13-15-9-6-5-8-14(15)12-17-16(13)10-7-11-18(17)19(2,3)4;1-13-17-8-6-5-7-14(17)11-15-12-16(19(2,3)4)9-10-18(13)15;1-13-17-8-6-5-7-14(17)11-15-9-10-16(12-18(13)15)19(2,3)4;1-18(2,3)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17;1-18(2,3)17-10-6-9-15-11-13-7-4-5-8-14(13)12-16(15)17;1-18(2,3)17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h7-12H,1-6H3;3*6-12H,1-5H3;4*5-12H,1-4H3;3*4-12H,1-3H3
InChIKeyGJTFRNRNOLBHNT-UHFFFAOYSA-N
XLogP62.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms211
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002760.11
LogP ≤ 562.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene with MolForge

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Related Compounds

1,2-ditert-butylnaphthalene;1,4-ditert-butylnaphthalene;1,5-ditert-butylnaphthalene;1,6-ditert-butylnaphthalene;1,7-ditert-butylnaphthalene;1,8-ditert-butylnaphthalene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;methane
CID 157431044
7,12-ditert-butylbenzo[a]anthracene;5,11-ditert-butylchrysene;5,13-ditert-butylpentacene;6,13-ditert-butylpentacene;ethane
CID 158578226
1-tert-butylphenanthrene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;4-tert-butylphenanthrene;2,2-dimethylpropane;phenanthrene
CID 157219441
19,26-dimethylhexacyclo[12.12.0.02,11.05,10.016,25.018,23]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaene
CID 141092662
1,7-ditert-butylnaphthalene
CID 59350345
6-tert-butyl-1-methylnaphthalene
CID 3019609
2,4-ditert-butyl-1-methylbenzene;1,7-ditert-butylnaphthalene
CID 158611419
5,13-dimethylpentacene;ethane
CID 144696296
13-tert-butylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 140946482
9-tert-butyl-10-methylanthracene
CID 58161441
2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)
CID 159448602
1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene
CID 161395588

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene?
The IUPAC name of 1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene (CID 158277203) is 1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene.
What is the SMILES notation for 1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene?
The canonical SMILES for 1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene is CC(C)(C)c1c2ccccc2cc2ccccc12.CC(C)(C)c1ccc2cc3ccccc3cc2c1.CC(C)(C)c1cccc2cc3ccccc3cc12.Cc1c2ccccc2c(C(C)(C)C)c2ccccc12.Cc1c2ccccc2c(C)c2c(C(C)(C)C)cccc12.Cc1c2ccccc2c(C)c2cc(C(C)(C)C)ccc12.Cc1c2ccccc2cc2c(C(C)(C)C)cccc12.Cc1c2ccccc2cc2cc(C(C)(C)C)ccc12.Cc1c2ccccc2cc2ccc(C(C)(C)C)cc12.Cc1cccc2c(C(C)(C)C)c3cccc(C)c3c(C)c12.Cc1cccc2c(C(C)(C)C)c3cccc(C)c3cc12.
What is the InChIKey of 1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene?
The InChIKey is GJTFRNRNOLBHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24.3C20H22.4C19H20.3C18H18/c1-13-9-7-11-16-18(13)15(3)19-14(2)10-8-12-17(19)20(16)21(4,5)6;1-13-8-6-10-15-17(13)12-18-14(2)9-7-11-16(18)19(15)20(3,4)5;1-13-15-9-6-7-10-16(15)14(2)19-17(13)11-8-12-18(19)20(3,4)5;1-13-16-8-6-7-9-17(16)14(2)19-12-15(20(3,4)5)10-11-18(13)19;1-13-14-9-5-7-11-16(14)18(19(2,3)4)17-12-8-6-10-15(13)17;1-13-15-9-6-5-8-14(15)12-17-16(13)10-7-11-18(17)19(2,3)4;1-13-17-8-6-5-7-14(17)11-15-12-16(19(2,3)4)9-10-18(13)15;1-13-17-8-6-5-7-14(17)11-15-9-10-16(12-18(13)15)19(2,3)4;1-18(2,3)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17;1-18(2,3)17-10-6-9-15-11-13-7-4-5-8-14(13)12-16(15)17;1-18(2,3)17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h7-12H,1-6H3;3*6-12H,1-5H3;4*5-12H,1-4H3;3*4-12H,1-3H3.
What are the key properties of 1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene?
1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene has a molecular weight of 2760.11 g/mol, XLogP of 62.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylanthracene;2-tert-butylanthracene;9-tert-butylanthracene;1-tert-butyl-9,10-dimethylanthracene;2-tert-butyl-9,10-dimethylanthracene;10-tert-butyl-1,8-dimethylanthracene;1-tert-butyl-10-methylanthracene;2-tert-butyl-9-methylanthracene;2-tert-butyl-10-methylanthracene;9-tert-butyl-10-methylanthracene;10-tert-butyl-1,8,9-trimethylanthracene is sourced from PubChem (CID 158277203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).