5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole

C50H33N3S — CID 90057304

IUPAC5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4c(-c5ccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)cn5)cccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C50H33N3S/c1-50(2)39-19-9-6-15-32(39)37-27-38-45(28-40(37)50)52(30-13-4-3-5-14-30)43-21-12-18-35(47(38)43)41-25-23-31(29-51-41)53-42-20-10-7-17-36(42)48-44(53)26-24-34-33-16-8-11-22-46(33)54-49(34)48/h3-29H,1-2H3
InChIKeyOGKNVSGSICFBLC-UHFFFAOYSA-N
MW707.90 g/mol
LogP13.62
Rot. Bonds3

About 5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole

5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 90057304) has the molecular formula C50H33N3S and a molecular weight of 707.90 g/mol. Its IUPAC name is 5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID90057304
Molecular FormulaC50H33N3S
Molecular Weight707.90 g/mol
Exact Mass707.24
IUPAC Name5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4c(-c5ccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)cn5)cccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C50H33N3S/c1-50(2)39-19-9-6-15-32(39)37-27-38-45(28-40(37)50)52(30-13-4-3-5-14-30)43-21-12-18-35(47(38)43)41-25-23-31(29-51-41)53-42-20-10-7-17-36(42)48-44(53)26-24-34-33-16-8-11-22-46(33)54-49(34)48/h3-29H,1-2H3
InChIKeyOGKNVSGSICFBLC-UHFFFAOYSA-N
XLogP13.62
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.90
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole 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

5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole
CID 90057155
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160957754
N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 66585302
7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 157086336
2-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 118013996
2-benzo[f][4,7]phenanthrolin-7-yl-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole;2-benzo[f][4,7]phenanthrolin-7-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-(4-benzo[f][4,7]phenanthrolin-7-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;(3-benzo[f][4,7]phenanthrolin-7-ylphenyl)-triphenylsilane;7-(3-dibenzothiophen-4-ylphenyl)benzo[f][4,7]phenanthroline;methane
CID 159912005
7,7-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;4-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-[1]benzothiolo[3,2-b]carbazole;5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 159415052
5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 160917580
3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-c]pyridine;7,7-dimethyl-5-phenyl-2-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;methane;3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-c]pyridine;4-(4-phenylphenyl)-6-triphenylen-2-yldibenzothiophene;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-triphenylen-2-yldibenzothiophene;9-(3-triphenylen-2-ylphenyl)carbazole
CID 162165414
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)phenyl]fluoren-2-amine
CID 89448271
9-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)carbazol-3-yl]-5-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 170096364
5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 146533076

Frequently Asked Questions

What is the IUPAC name of 5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole (CID 90057304) is 5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2cc3c4c(-c5ccc(-n6c7ccccc7c7c8sc9ccccc9c8ccc76)cn5)cccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is OGKNVSGSICFBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3S/c1-50(2)39-19-9-6-15-32(39)37-27-38-45(28-40(37)50)52(30-13-4-3-5-14-30)43-21-12-18-35(47(38)43)41-25-23-31(29-51-41)53-42-20-10-7-17-36(42)48-44(53)26-24-34-33-16-8-11-22-46(33)54-49(34)48/h3-29H,1-2H3.
What are the key properties of 5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 707.90 g/mol, XLogP of 13.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 90057304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).