2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol

C54H44N2O2S2 — CID 20749790

IUPAC2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol
SMILESCc1cc(-c2ccccc2SCCCCSc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C54H44N2O2S2/c1-35-31-43(53(57)49(33-35)55-45-23-9-3-17-37(45)38-18-4-10-24-46(38)55)41-21-7-13-27-51(41)59-29-15-16-30-60-52-28-14-8-22-42(52)44-32-36(2)34-50(54(44)58)56-47-25-11-5-19-39(47)40-20-6-12-26-48(40)56/h3-14,17-28,31-34,57-58H,15-16,29-30H2,1-2H3
InChIKeyOLFJAMWZTOSPDM-UHFFFAOYSA-N
MW817.09 g/mol
LogP14.91
Rot. Bonds11

About 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol

2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol (PubChem CID 20749790) has the molecular formula C54H44N2O2S2 and a molecular weight of 817.09 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol
PubChem CID20749790
Molecular FormulaC54H44N2O2S2
Molecular Weight817.09 g/mol
Exact Mass816.28
IUPAC Name2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol
SMILESCc1cc(-c2ccccc2SCCCCSc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C54H44N2O2S2/c1-35-31-43(53(57)49(33-35)55-45-23-9-3-17-37(45)38-18-4-10-24-46(38)55)41-21-7-13-27-51(41)59-29-15-16-30-60-52-28-14-8-22-42(52)44-32-36(2)34-50(54(44)58)56-47-25-11-5-19-39(47)40-20-6-12-26-48(40)56/h3-14,17-28,31-34,57-58H,15-16,29-30H2,1-2H3
InChIKeyOLFJAMWZTOSPDM-UHFFFAOYSA-N
XLogP14.91
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.09
LogP ≤ 514.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol 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-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol (CID 20749790) is 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol is Cc1cc(-c2ccccc2SCCCCSc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol?
The InChIKey is OLFJAMWZTOSPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2O2S2/c1-35-31-43(53(57)49(33-35)55-45-23-9-3-17-37(45)38-18-4-10-24-46(38)55)41-21-7-13-27-51(41)59-29-15-16-30-60-52-28-14-8-22-42(52)44-32-36(2)34-50(54(44)58)56-47-25-11-5-19-39(47)40-20-6-12-26-48(40)56/h3-14,17-28,31-34,57-58H,15-16,29-30H2,1-2H3.
What are the key properties of 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol?
2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol has a molecular weight of 817.09 g/mol, XLogP of 14.91, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]sulfanylbutylsulfanyl]phenyl]-4-methylphenol is sourced from PubChem (CID 20749790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).