4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol

C34H30S — CID 143197342

IUPAC4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1ccc(-c2c(C)cc(-c3ccc(S)cc3)cc2C)cc1
InChIInChI=1S/C34H30S/c1-22-18-30(26-8-6-5-7-9-26)19-23(2)33(22)28-10-12-29(13-11-28)34-24(3)20-31(21-25(34)4)27-14-16-32(35)17-15-27/h5-21,35H,1-4H3
InChIKeyKUEPOGZQMPUGCN-UHFFFAOYSA-N
MW470.68 g/mol
LogP9.88
Rot. Bonds4

About 4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol

4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol (PubChem CID 143197342) has the molecular formula C34H30S and a molecular weight of 470.68 g/mol. Its IUPAC name is 4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol.

Molecular Properties

Compound Name4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol
PubChem CID143197342
Molecular FormulaC34H30S
Molecular Weight470.68 g/mol
Exact Mass470.21
IUPAC Name4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1ccc(-c2c(C)cc(-c3ccc(S)cc3)cc2C)cc1
InChIInChI=1S/C34H30S/c1-22-18-30(26-8-6-5-7-9-26)19-23(2)33(22)28-10-12-29(13-11-28)34-24(3)20-31(21-25(34)4)27-14-16-32(35)17-15-27/h5-21,35H,1-4H3
InChIKeyKUEPOGZQMPUGCN-UHFFFAOYSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.68
LogP ≤ 59.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane
CID 123394751
CID 161406498
CID 161406498
CID 118643196
CID 118643196
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
2,6-dimethyl-4-(4-sulfanylphenyl)phenol
CID 129086516
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
CID 167515773
3-methyl-5-phenylbenzenethiol
CID 154950467
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
benzenethiol;ethane;4-methylbenzenethiol
CID 144560916
[4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane
CID 59664304
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol?
The IUPAC name of 4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol (CID 143197342) is 4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol.
What is the SMILES notation for 4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol?
The canonical SMILES for 4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol is Cc1cc(-c2ccccc2)cc(C)c1-c1ccc(-c2c(C)cc(-c3ccc(S)cc3)cc2C)cc1.
What is the InChIKey of 4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol?
The InChIKey is KUEPOGZQMPUGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30S/c1-22-18-30(26-8-6-5-7-9-26)19-23(2)33(22)28-10-12-29(13-11-28)34-24(3)20-31(21-25(34)4)27-14-16-32(35)17-15-27/h5-21,35H,1-4H3.
What are the key properties of 4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol?
4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol has a molecular weight of 470.68 g/mol, XLogP of 9.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol is sourced from PubChem (CID 143197342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).