2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine

C40H24N4S — CID 177271573

IUPAC2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2ccc3sc4cnc(-n5c6ccccc6c6ccccc65)nc4c3c2)c1[2H]
InChIInChI=1S/C40H24N4S/c1-6-16-32(43-33-17-7-2-12-27(33)28-13-3-8-18-34(28)43)26(11-1)25-21-22-37-31(23-25)39-38(45-37)24-41-40(42-39)44-35-19-9-4-14-29(35)30-15-5-10-20-36(30)44/h1-24H/i1D,6D,11D,16D
InChIKeyQZKROOXZAYAKQQ-CMJKCKPHSA-N
MW596.75 g/mol
LogP10.71
Rot. Bonds3

About 2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine

2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 177271573) has the molecular formula C40H24N4S and a molecular weight of 596.75 g/mol. Its IUPAC name is 2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID177271573
Molecular FormulaC40H24N4S
Molecular Weight596.75 g/mol
Exact Mass596.20
IUPAC Name2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2ccc3sc4cnc(-n5c6ccccc6c6ccccc65)nc4c3c2)c1[2H]
InChIInChI=1S/C40H24N4S/c1-6-16-32(43-33-17-7-2-12-27(33)28-13-3-8-18-34(28)43)26(11-1)25-21-22-37-31(23-25)39-38(45-37)24-41-40(42-39)44-35-19-9-4-14-29(35)30-15-5-10-20-36(30)44/h1-24H/i1D,6D,11D,16D
InChIKeyQZKROOXZAYAKQQ-CMJKCKPHSA-N
XLogP10.71
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.75
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine 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

8-(3-carbazol-9-ylphenyl)-2-(3-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177271411
8-(3-carbazol-9-ylphenyl)-2-(2-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177271684
8-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 177271571
9-[3-carbazol-9-yl-5-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-2,4,6-trideuteriophenyl]carbazole
CID 164788572
2-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118232483
2-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118232330
5-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-7-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-b]carbazole
CID 172513657
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164788520
4-(2-carbazol-9-ylphenyl)-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177271665
8-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693027
2-carbazol-9-yl-6-methyl-[1]benzothiolo[3,2-d]pyrimidine;2-carbazol-9-yl-8-methyl-[1]benzothiolo[3,2-d]pyrimidine;6-methyl-[1]benzothiolo[3,2-b]pyridine;6-methyl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;8-methyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 160723673
9-[8-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
CID 162055550

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine (CID 177271573) is 2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2ccc3sc4cnc(-n5c6ccccc6c6ccccc65)nc4c3c2)c1[2H].
What is the InChIKey of 2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is QZKROOXZAYAKQQ-CMJKCKPHSA-N. The full InChI is InChI=1S/C40H24N4S/c1-6-16-32(43-33-17-7-2-12-27(33)28-13-3-8-18-34(28)43)26(11-1)25-21-22-37-31(23-25)39-38(45-37)24-41-40(42-39)44-35-19-9-4-14-29(35)30-15-5-10-20-36(30)44/h1-24H/i1D,6D,11D,16D.
What are the key properties of 2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine?
2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 596.75 g/mol, XLogP of 10.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-8-(2-carbazol-9-yl-3,4,5,6-tetradeuteriophenyl)-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 177271573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).