1-tert-butyl-3-methyl-2,4-diphenylnaphthalene

C27H26 — CID 10569884

IUPAC1-tert-butyl-3-methyl-2,4-diphenylnaphthalene
SMILESCc1c(-c2ccccc2)c(C(C)(C)C)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C27H26/c1-19-24(20-13-7-5-8-14-20)22-17-11-12-18-23(22)26(27(2,3)4)25(19)21-15-9-6-10-16-21/h5-18H,1-4H3
InChIKeyBARIXIFMSIPMJP-UHFFFAOYSA-N
MW350.51 g/mol
LogP7.78
Rot. Bonds2

About 1-tert-butyl-3-methyl-2,4-diphenylnaphthalene

1-tert-butyl-3-methyl-2,4-diphenylnaphthalene (PubChem CID 10569884) has the molecular formula C27H26 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-2,4-diphenylnaphthalene.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-2,4-diphenylnaphthalene
PubChem CID10569884
Molecular FormulaC27H26
Molecular Weight350.51 g/mol
Exact Mass350.20
IUPAC Name1-tert-butyl-3-methyl-2,4-diphenylnaphthalene
SMILESCc1c(-c2ccccc2)c(C(C)(C)C)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C27H26/c1-19-24(20-13-7-5-8-14-20)22-17-11-12-18-23(22)26(27(2,3)4)25(19)21-15-9-6-10-16-21/h5-18H,1-4H3
InChIKeyBARIXIFMSIPMJP-UHFFFAOYSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-ditert-butyl-2,3-dimethylnaphthalene
CID 163647560
3-methyl-2,4-diphenylnaphthalen-1-amine
CID 174555006
3-methyl-2,4-diphenylnaphthalen-1-ol
CID 134947598
9-tert-butyl-10-methylanthracene
CID 58161441
6,11-ditert-butyl-1,2,3,4-tetraphenyl-5,12-dihydrotetracene
CID 139940303
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2-tert-butyl-3,5-dimethyl-4-phenylphenol
CID 142778103
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)-10-(10-phenylanthracen-9-yl)anthracene
CID 123895448

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-2,4-diphenylnaphthalene?
The IUPAC name of 1-tert-butyl-3-methyl-2,4-diphenylnaphthalene (CID 10569884) is 1-tert-butyl-3-methyl-2,4-diphenylnaphthalene.
What is the SMILES notation for 1-tert-butyl-3-methyl-2,4-diphenylnaphthalene?
The canonical SMILES for 1-tert-butyl-3-methyl-2,4-diphenylnaphthalene is Cc1c(-c2ccccc2)c(C(C)(C)C)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 1-tert-butyl-3-methyl-2,4-diphenylnaphthalene?
The InChIKey is BARIXIFMSIPMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26/c1-19-24(20-13-7-5-8-14-20)22-17-11-12-18-23(22)26(27(2,3)4)25(19)21-15-9-6-10-16-21/h5-18H,1-4H3.
What are the key properties of 1-tert-butyl-3-methyl-2,4-diphenylnaphthalene?
1-tert-butyl-3-methyl-2,4-diphenylnaphthalene has a molecular weight of 350.51 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-2,4-diphenylnaphthalene is sourced from PubChem (CID 10569884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).