11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline

C42H28N2S — CID 138662844

IUPAC11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5c6ccccc6nc6sc7ccccc7c56)c4)c3cc21
InChIInChI=1S/C42H28N2S/c1-42(2)33-18-7-3-14-27(33)31-23-32-28-15-5-9-20-36(28)44(37(32)24-34(31)42)26-13-11-12-25(22-26)39-29-16-4-8-19-35(29)43-41-40(39)30-17-6-10-21-38(30)45-41/h3-24H,1-2H3
InChIKeyTYPABTGMWNRCBJ-UHFFFAOYSA-N
MW592.77 g/mol
LogP11.67
Rot. Bonds2

About 11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline

11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline (PubChem CID 138662844) has the molecular formula C42H28N2S and a molecular weight of 592.77 g/mol. Its IUPAC name is 11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline.

Molecular Properties

Compound Name11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
PubChem CID138662844
Molecular FormulaC42H28N2S
Molecular Weight592.77 g/mol
Exact Mass592.20
IUPAC Name11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5c6ccccc6nc6sc7ccccc7c56)c4)c3cc21
InChIInChI=1S/C42H28N2S/c1-42(2)33-18-7-3-14-27(33)31-23-32-28-15-5-9-20-36(28)44(37(32)24-34(31)42)26-13-11-12-25(22-26)39-29-16-4-8-19-35(29)43-41-40(39)30-17-6-10-21-38(30)45-41/h3-24H,1-2H3
InChIKeyTYPABTGMWNRCBJ-UHFFFAOYSA-N
XLogP11.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.77
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline 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

11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-8-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline;11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 159571374
11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline
CID 138661186
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
CID 130333603
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
5-[3-(9,9-dimethyl-5-phenylfluoren-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 138714663
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;7,7-dimethyl-5-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 161187955
7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 163991530
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 169014751
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole
CID 134516493
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140

Frequently Asked Questions

What is the IUPAC name of 11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?
The IUPAC name of 11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline (CID 138662844) is 11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline.
What is the SMILES notation for 11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?
The canonical SMILES for 11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5c6ccccc6nc6sc7ccccc7c56)c4)c3cc21.
What is the InChIKey of 11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?
The InChIKey is TYPABTGMWNRCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S/c1-42(2)33-18-7-3-14-27(33)31-23-32-28-15-5-9-20-36(28)44(37(32)24-34(31)42)26-13-11-12-25(22-26)39-29-16-4-8-19-35(29)43-41-40(39)30-17-6-10-21-38(30)45-41/h3-24H,1-2H3.
What are the key properties of 11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline?
11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline has a molecular weight of 592.77 g/mol, XLogP of 11.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline is sourced from PubChem (CID 138662844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).