1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene

C220H272 — CID 164950188

IUPAC1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)c4ccccc34)cc2)cc1.CC(C)(C)c1ccc(-c2ccc3cc(C(C)(C)C)ccc3c2)cc1.CC(C)(C)c1ccc(-c2cccc3ccc(C(C)(C)C)cc23)cc1.CC(C)(C)c1ccc(-c2cccc3ccc(C(C)(C)C)cc23)cc1.CC(C)(C)c1cccc(-c2ccc3cc(C(C)(C)C)ccc3c2)c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccccc1C(C)(C)C.Cc1c(-c2ccc(C(C)(C)C)c3ccccc23)cccc1C(C)(C)C.Cc1cc(C(C)C)ccc1-c1cc(C(C)(C)C)ccc1C.Cc1cc(C(C)C)ccc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C30H32.C25H30.4C24H28.C21H28.C20H26.2C14H22/c1-29(2,3)24-17-15-22(16-18-24)21-11-13-23(14-12-21)25-19-20-28(30(4,5)6)27-10-8-7-9-26(25)27;1-17-18(13-10-14-22(17)24(2,3)4)20-15-16-23(25(5,6)7)21-12-9-8-11-19(20)21;1-23(2,3)21-12-9-17(10-13-21)18-7-8-20-16-22(24(4,5)6)14-11-19(20)15-18;2*1-23(2,3)19-13-10-18(11-14-19)21-9-7-8-17-12-15-20(16-22(17)21)24(4,5)6;1-23(2,3)21-9-7-8-17(15-21)18-10-11-20-16-22(24(4,5)6)13-12-19(20)14-18;1-14(2)17-9-11-19(16(4)12-17)20-13-18(21(5,6)7)10-8-15(20)3;1-14(2)16-10-11-19(15(3)12-16)17-8-7-9-18(13-17)20(4,5)6;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6/h7-20H,1-6H3;8-16H,1-7H3;4*7-16H,1-6H3;8-14H,1-7H3;7-14H,1-6H3;2*7-10H,1-6H3
InChIKeyAKOOVYHADHQNAB-UHFFFAOYSA-N
MW2916.60 g/mol
LogP65.62
Rot. Bonds11

About 1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene

1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene (PubChem CID 164950188) has the molecular formula C220H272 and a molecular weight of 2916.60 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene
PubChem CID164950188
Molecular FormulaC220H272
Molecular Weight2916.60 g/mol
Exact Mass2914.13
IUPAC Name1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)c4ccccc34)cc2)cc1.CC(C)(C)c1ccc(-c2ccc3cc(C(C)(C)C)ccc3c2)cc1.CC(C)(C)c1ccc(-c2cccc3ccc(C(C)(C)C)cc23)cc1.CC(C)(C)c1ccc(-c2cccc3ccc(C(C)(C)C)cc23)cc1.CC(C)(C)c1cccc(-c2ccc3cc(C(C)(C)C)ccc3c2)c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccccc1C(C)(C)C.Cc1c(-c2ccc(C(C)(C)C)c3ccccc23)cccc1C(C)(C)C.Cc1cc(C(C)C)ccc1-c1cc(C(C)(C)C)ccc1C.Cc1cc(C(C)C)ccc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C30H32.C25H30.4C24H28.C21H28.C20H26.2C14H22/c1-29(2,3)24-17-15-22(16-18-24)21-11-13-23(14-12-21)25-19-20-28(30(4,5)6)27-10-8-7-9-26(25)27;1-17-18(13-10-14-22(17)24(2,3)4)20-15-16-23(25(5,6)7)21-12-9-8-11-19(20)21;1-23(2,3)21-12-9-17(10-13-21)18-7-8-20-16-22(24(4,5)6)14-11-19(20)15-18;2*1-23(2,3)19-13-10-18(11-14-19)21-9-7-8-17-12-15-20(16-22(17)21)24(4,5)6;1-23(2,3)21-9-7-8-17(15-21)18-10-11-20-16-22(24(4,5)6)13-12-19(20)14-18;1-14(2)17-9-11-19(16(4)12-17)20-13-18(21(5,6)7)10-8-15(20)3;1-14(2)16-10-11-19(15(3)12-16)17-8-7-9-18(13-17)20(4,5)6;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6/h7-20H,1-6H3;8-16H,1-7H3;4*7-16H,1-6H3;8-14H,1-7H3;7-14H,1-6H3;2*7-10H,1-6H3
InChIKeyAKOOVYHADHQNAB-UHFFFAOYSA-N
XLogP65.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms220
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002916.60
LogP ≤ 565.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene with MolForge

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Related Compounds

9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 144837312
1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169238
1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalene;2-naphthalen-2-yl-7-(7-naphthalen-2-ylnaphthalen-2-yl)naphthalene;1-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-1-ylphenyl)naphthalene;2-naphthalen-2-yl-6-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalene;2-naphthalen-2-yl-7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalene;1-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)naphthalene;2-propan-2-yl-6-[4-[4-(6-propan-2-ylnaphthalen-2-yl)phenyl]phenyl]naphthalene
CID 161256989
4-tert-butyl-2-methyl-1-(3-propan-2-ylphenyl)benzene
CID 165380290
2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 167578783
2,4-ditert-butyl-1-methylbenzene;1,7-ditert-butylnaphthalene
CID 158611419
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-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(3-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,3,5-triazine
CID 158095916
2-tert-butylbenzonitrile;3-tert-butylbenzonitrile;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-phenylbenzene;4-tert-butyl-1-fluoro-2-phenylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylnaphthalene;2-tert-butyl-6-phenylnaphthalene
CID 160516297
1,2-ditert-butylbenzene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;2,7-ditert-butylnaphthalene
CID 157478652
2,3,6,7,10,11-hexakis(3-phenylphenyl)triphenylene;2,3,6,7,10,11-hexakis-phenyltriphenylene;2,3,6,7,10-pentakis(4-tert-butylphenyl)-11-(4-propan-2-ylphenyl)triphenylene
CID 162246061
1,7-ditert-butylnaphthalene
CID 59350345

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene?
The IUPAC name of 1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene (CID 164950188) is 1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene.
What is the SMILES notation for 1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene?
The canonical SMILES for 1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene is CC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)(C)C)c4ccccc34)cc2)cc1.CC(C)(C)c1ccc(-c2ccc3cc(C(C)(C)C)ccc3c2)cc1.CC(C)(C)c1ccc(-c2cccc3ccc(C(C)(C)C)cc23)cc1.CC(C)(C)c1ccc(-c2cccc3ccc(C(C)(C)C)cc23)cc1.CC(C)(C)c1cccc(-c2ccc3cc(C(C)(C)C)ccc3c2)c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccccc1C(C)(C)C.Cc1c(-c2ccc(C(C)(C)C)c3ccccc23)cccc1C(C)(C)C.Cc1cc(C(C)C)ccc1-c1cc(C(C)(C)C)ccc1C.Cc1cc(C(C)C)ccc1-c1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene?
The InChIKey is AKOOVYHADHQNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32.C25H30.4C24H28.C21H28.C20H26.2C14H22/c1-29(2,3)24-17-15-22(16-18-24)21-11-13-23(14-12-21)25-19-20-28(30(4,5)6)27-10-8-7-9-26(25)27;1-17-18(13-10-14-22(17)24(2,3)4)20-15-16-23(25(5,6)7)21-12-9-8-11-19(20)21;1-23(2,3)21-12-9-17(10-13-21)18-7-8-20-16-22(24(4,5)6)14-11-19(20)15-18;2*1-23(2,3)19-13-10-18(11-14-19)21-9-7-8-17-12-15-20(16-22(17)21)24(4,5)6;1-23(2,3)21-9-7-8-17(15-21)18-10-11-20-16-22(24(4,5)6)13-12-19(20)14-18;1-14(2)17-9-11-19(16(4)12-17)20-13-18(21(5,6)7)10-8-15(20)3;1-14(2)16-10-11-19(15(3)12-16)17-8-7-9-18(13-17)20(4,5)6;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6/h7-20H,1-6H3;8-16H,1-7H3;4*7-16H,1-6H3;8-14H,1-7H3;7-14H,1-6H3;2*7-10H,1-6H3.
What are the key properties of 1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene?
1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene has a molecular weight of 2916.60 g/mol, XLogP of 65.62, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-tert-butyl-2-methylphenyl)naphthalene;2-tert-butyl-6-(3-tert-butylphenyl)naphthalene;2-tert-butyl-6-(4-tert-butylphenyl)naphthalene;bis(7-tert-butyl-1-(4-tert-butylphenyl)naphthalene);1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]naphthalene;1-(5-tert-butyl-2-methylphenyl)-2-methyl-4-propan-2-ylbenzene;1-(3-tert-butylphenyl)-2-methyl-4-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,3-ditert-butylbenzene is sourced from PubChem (CID 164950188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).