2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol

C52H48N2O2S2 — CID 58076435

IUPAC2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(CSc2ccccc2SCc2cc(C(C)(C)C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H48N2O2S2/c1-33(2)26-34-27-35(50(55)46(28-34)53-42-20-10-6-16-38(42)39-17-7-11-21-43(39)53)31-57-48-24-14-15-25-49(48)58-32-36-29-37(52(3,4)5)30-47(51(36)56)54-44-22-12-8-18-40(44)41-19-9-13-23-45(41)54/h6-25,27-30,33,55-56H,26,31-32H2,1-5H3
InChIKeyGMPGYDYHRJPJFX-UHFFFAOYSA-N
MW797.10 g/mol
LogP14.37
Rot. Bonds10

About 2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol

2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol (PubChem CID 58076435) has the molecular formula C52H48N2O2S2 and a molecular weight of 797.10 g/mol. Its IUPAC name is 2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol.

Molecular Properties

Compound Name2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol
PubChem CID58076435
Molecular FormulaC52H48N2O2S2
Molecular Weight797.10 g/mol
Exact Mass796.32
IUPAC Name2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(CSc2ccccc2SCc2cc(C(C)(C)C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H48N2O2S2/c1-33(2)26-34-27-35(50(55)46(28-34)53-42-20-10-6-16-38(42)39-17-7-11-21-43(39)53)31-57-48-24-14-15-25-49(48)58-32-36-29-37(52(3,4)5)30-47(51(36)56)54-44-22-12-8-18-40(44)41-19-9-13-23-45(41)54/h6-25,27-30,33,55-56H,26,31-32H2,1-5H3
InChIKeyGMPGYDYHRJPJFX-UHFFFAOYSA-N
XLogP14.37
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.10
LogP ≤ 514.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol?
The IUPAC name of 2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol (CID 58076435) is 2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol.
What is the SMILES notation for 2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol?
The canonical SMILES for 2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol is CC(C)Cc1cc(CSc2ccccc2SCc2cc(C(C)(C)C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol?
The InChIKey is GMPGYDYHRJPJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N2O2S2/c1-33(2)26-34-27-35(50(55)46(28-34)53-42-20-10-6-16-38(42)39-17-7-11-21-43(39)53)31-57-48-24-14-15-25-49(48)58-32-36-29-37(52(3,4)5)30-47(51(36)56)54-44-22-12-8-18-40(44)41-19-9-13-23-45(41)54/h6-25,27-30,33,55-56H,26,31-32H2,1-5H3.
What are the key properties of 2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol?
2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol has a molecular weight of 797.10 g/mol, XLogP of 14.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methylsulfanyl]phenyl]sulfanylmethyl]-6-carbazol-9-yl-4-(2-methylpropyl)phenol is sourced from PubChem (CID 58076435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).