(3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene

C53H49NS — CID 145482140

IUPAC(3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene
SMILESCC.Cc1cc(-n2c3ccccc3c3ccccc32)cc(S(c2ccccc2)(c2ccccc2)c2ccccc2)c1.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C37H29NS.C14H14.C2H6/c1-28-25-29(38-36-23-13-11-21-34(36)35-22-12-14-24-37(35)38)27-33(26-28)39(30-15-5-2-6-16-30,31-17-7-3-8-18-31)32-19-9-4-10-20-32;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-2/h2-27H,1H3;3-10H,1-2H3;1-2H3
InChIKeySITMDURPFVZNGT-UHFFFAOYSA-N
MW732.05 g/mol
LogP15.43
Rot. Bonds6

About (3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene

(3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene (PubChem CID 145482140) has the molecular formula C53H49NS and a molecular weight of 732.05 g/mol. Its IUPAC name is (3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene.

Molecular Properties

Compound Name(3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene
PubChem CID145482140
Molecular FormulaC53H49NS
Molecular Weight732.05 g/mol
Exact Mass731.36
IUPAC Name(3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene
SMILESCC.Cc1cc(-n2c3ccccc3c3ccccc32)cc(S(c2ccccc2)(c2ccccc2)c2ccccc2)c1.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C37H29NS.C14H14.C2H6/c1-28-25-29(38-36-23-13-11-21-34(36)35-22-12-14-24-37(35)38)27-33(26-28)39(30-15-5-2-6-16-30,31-17-7-3-8-18-31)32-19-9-4-10-20-32;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-2/h2-27H,1H3;3-10H,1-2H3;1-2H3
InChIKeySITMDURPFVZNGT-UHFFFAOYSA-N
XLogP15.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.05
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene with MolForge

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

Launch Full Analysis

Related Compounds

triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane
CID 167052172
5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine
CID 143691807
diphenyl-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-triphenylen-2-yl-λ4-sulfane
CID 163745728
triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane
CID 138489099
[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane
CID 145345114
(3-carbazol-9-yl-5-methylphenyl)methanamine
CID 153329301
9-(3-carbazol-9-yl-5-methylphenyl)-3,6-diphenylcarbazole
CID 145158092
ethane;9-(3-methylphenyl)carbazole
CID 143904684
2-(2-methylphenyl)-9-(3-methylphenyl)carbazole
CID 170942462
9-(3-methyl-5-phenylsulfanylphenyl)carbazole
CID 146274271
3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 118888312
2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane
CID 145449640

Frequently Asked Questions

What is the IUPAC name of (3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene?
The IUPAC name of (3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene (CID 145482140) is (3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene.
What is the SMILES notation for (3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene?
The canonical SMILES for (3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene is CC.Cc1cc(-n2c3ccccc3c3ccccc32)cc(S(c2ccccc2)(c2ccccc2)c2ccccc2)c1.Cc1ccccc1-c1ccccc1C.
What is the InChIKey of (3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene?
The InChIKey is SITMDURPFVZNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29NS.C14H14.C2H6/c1-28-25-29(38-36-23-13-11-21-34(36)35-22-12-14-24-37(35)38)27-33(26-28)39(30-15-5-2-6-16-30,31-17-7-3-8-18-31)32-19-9-4-10-20-32;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-2/h2-27H,1H3;3-10H,1-2H3;1-2H3.
What are the key properties of (3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene?
(3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene has a molecular weight of 732.05 g/mol, XLogP of 15.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene is sourced from PubChem (CID 145482140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).