1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

C48H32N4S — CID 91279245

IUPAC1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESCC1CC=Cc2c1n(-c1ccc3c(c1)c1ccccc1n3-c1ccc3sc4c(-n5c6ccccc6c6ccccc65)nccc4c3c1)c1ccccc21
InChIInChI=1S/C48H32N4S/c1-29-11-10-16-36-34-14-4-7-18-41(34)51(46(29)36)31-21-23-44-38(27-31)35-15-5-6-17-40(35)50(44)30-22-24-45-39(28-30)37-25-26-49-48(47(37)53-45)52-42-19-8-2-12-32(42)33-13-3-9-20-43(33)52/h2-10,12-29H,11H2,1H3
InChIKeyRGNBCZYWBVUUAT-UHFFFAOYSA-N
MW696.88 g/mol
LogP13.11
Rot. Bonds3

About 1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 91279245) has the molecular formula C48H32N4S and a molecular weight of 696.88 g/mol. Its IUPAC name is 1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID91279245
Molecular FormulaC48H32N4S
Molecular Weight696.88 g/mol
Exact Mass696.23
IUPAC Name1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESCC1CC=Cc2c1n(-c1ccc3c(c1)c1ccccc1n3-c1ccc3sc4c(-n5c6ccccc6c6ccccc65)nccc4c3c1)c1ccccc21
InChIInChI=1S/C48H32N4S/c1-29-11-10-16-36-34-14-4-7-18-41(34)51(46(29)36)31-21-23-44-38(27-31)35-15-5-6-17-40(35)50(44)30-22-24-45-39(28-30)37-25-26-49-48(47(37)53-45)52-42-19-8-2-12-32(42)33-13-3-9-20-43(33)52/h2-10,12-29H,11H2,1H3
InChIKeyRGNBCZYWBVUUAT-UHFFFAOYSA-N
XLogP13.11
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.88
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine 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 1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (CID 91279245) is 1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is CC1CC=Cc2c1n(-c1ccc3c(c1)c1ccccc1n3-c1ccc3sc4c(-n5c6ccccc6c6ccccc65)nccc4c3c1)c1ccccc21.
What is the InChIKey of 1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is RGNBCZYWBVUUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4S/c1-29-11-10-16-36-34-14-4-7-18-41(34)51(46(29)36)31-21-23-44-38(27-31)35-15-5-6-17-40(35)50(44)30-22-24-45-39(28-30)37-25-26-49-48(47(37)53-45)52-42-19-8-2-12-32(42)33-13-3-9-20-43(33)52/h2-10,12-29H,11H2,1H3.
What are the key properties of 1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 696.88 g/mol, XLogP of 13.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-6-[3-(1-methyl-1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 91279245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).