1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene

C96H122S8 — CID 102475228

IUPAC1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene
SMILESCC(C)(C)c1cc(CSCc2cc(CSCc3cc(CSCc4cc(CSc5ccccc5)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)cc(CSCc2cc(CSCc3cc(CSCc4cc(CSc5ccccc5)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C96H122S8/c1-90(2,3)81-39-67(53-97-55-69-33-71(43-82(41-69)91(4,5)6)57-99-59-73-35-75(47-84(45-73)93(10,11)12)61-101-63-77-37-79(51-86(49-77)95(16,17)18)65-103-88-28-24-22-25-29-88)32-68(40-81)54-98-56-70-34-72(44-83(42-70)92(7,8)9)58-100-60-74-36-76(48-85(46-74)94(13,14)15)62-102-64-78-38-80(52-87(50-78)96(19,20)21)66-104-89-30-26-23-27-31-89/h22-52H,53-66H2,1-21H3
InChIKeyAFWYPTNNHBZVDV-UHFFFAOYSA-N
MW1532.57 g/mol
LogP29.95
Rot. Bonds30

About 1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene

1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene (PubChem CID 102475228) has the molecular formula C96H122S8 and a molecular weight of 1532.57 g/mol. Its IUPAC name is 1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene
PubChem CID102475228
Molecular FormulaC96H122S8
Molecular Weight1532.57 g/mol
Exact Mass1530.73
IUPAC Name1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene
SMILESCC(C)(C)c1cc(CSCc2cc(CSCc3cc(CSCc4cc(CSc5ccccc5)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)cc(CSCc2cc(CSCc3cc(CSCc4cc(CSc5ccccc5)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C96H122S8/c1-90(2,3)81-39-67(53-97-55-69-33-71(43-82(41-69)91(4,5)6)57-99-59-73-35-75(47-84(45-73)93(10,11)12)61-101-63-77-37-79(51-86(49-77)95(16,17)18)65-103-88-28-24-22-25-29-88)32-68(40-81)54-98-56-70-34-72(44-83(42-70)92(7,8)9)58-100-60-74-36-76(48-85(46-74)94(13,14)15)62-102-64-78-38-80(52-87(50-78)96(19,20)21)66-104-89-30-26-23-27-31-89/h22-52H,53-66H2,1-21H3
InChIKeyAFWYPTNNHBZVDV-UHFFFAOYSA-N
XLogP29.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001532.57
LogP ≤ 529.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene?
The IUPAC name of 1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene (CID 102475228) is 1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene.
What is the SMILES notation for 1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene?
The canonical SMILES for 1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene is CC(C)(C)c1cc(CSCc2cc(CSCc3cc(CSCc4cc(CSc5ccccc5)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)cc(CSCc2cc(CSCc3cc(CSCc4cc(CSc5ccccc5)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1.
What is the InChIKey of 1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene?
The InChIKey is AFWYPTNNHBZVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H122S8/c1-90(2,3)81-39-67(53-97-55-69-33-71(43-82(41-69)91(4,5)6)57-99-59-73-35-75(47-84(45-73)93(10,11)12)61-101-63-77-37-79(51-86(49-77)95(16,17)18)65-103-88-28-24-22-25-29-88)32-68(40-81)54-98-56-70-34-72(44-83(42-70)92(7,8)9)58-100-60-74-36-76(48-85(46-74)94(13,14)15)62-102-64-78-38-80(52-87(50-78)96(19,20)21)66-104-89-30-26-23-27-31-89/h22-52H,53-66H2,1-21H3.
What are the key properties of 1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene?
1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene has a molecular weight of 1532.57 g/mol, XLogP of 29.95, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene is sourced from PubChem (CID 102475228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).