6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine

C83H53N5S2 — CID 163671721

IUPAC6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESC1=Cc2c(c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccc7sc8c(-n9c%10c(c%11ccccc%119)CCC=C%10)nccc8c7c6)cccc54)ccc3n2-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)CC1
InChIInChI=1S/C83H53N5S2/c1-8-33-70-57(22-1)58-23-2-9-34-71(58)88(70)83-82-64(44-45-84-83)68-49-55(41-43-78(68)90-82)87-73-36-11-5-27-66(73)80-62(30-17-38-76(80)87)61-29-16-37-75-79(61)65-26-4-10-35-72(65)86(75)54-40-42-74-67(48-54)59-24-3-7-32-69(59)85(74)53-21-14-19-51(47-53)50-18-13-20-52(46-50)56-28-15-31-63-60-25-6-12-39-77(60)89-81(56)63/h1,4-22,25-49H,2-3,23-24H2
InChIKeyJDDBPBCVMCZFHM-UHFFFAOYSA-N
MW1184.51 g/mol
LogP22.82
Rot. Bonds7

About 6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine

6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine (PubChem CID 163671721) has the molecular formula C83H53N5S2 and a molecular weight of 1184.51 g/mol. Its IUPAC name is 6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
PubChem CID163671721
Molecular FormulaC83H53N5S2
Molecular Weight1184.51 g/mol
Exact Mass1183.37
IUPAC Name6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESC1=Cc2c(c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccc7sc8c(-n9c%10c(c%11ccccc%119)CCC=C%10)nccc8c7c6)cccc54)ccc3n2-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)CC1
InChIInChI=1S/C83H53N5S2/c1-8-33-70-57(22-1)58-23-2-9-34-71(58)88(70)83-82-64(44-45-84-83)68-49-55(41-43-78(68)90-82)87-73-36-11-5-27-66(73)80-62(30-17-38-76(80)87)61-29-16-37-75-79(61)65-26-4-10-35-72(65)86(75)54-40-42-74-67(48-54)59-24-3-7-32-69(59)85(74)53-21-14-19-51(47-53)50-18-13-20-52(46-50)56-28-15-31-63-60-25-6-12-39-77(60)89-81(56)63/h1,4-22,25-49H,2-3,23-24H2
InChIKeyJDDBPBCVMCZFHM-UHFFFAOYSA-N
XLogP22.82
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001184.51
LogP ≤ 522.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine with MolForge

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Related Compounds

9-[9-[3-[3-[[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]methyl]phenyl]phenyl]carbazol-3-yl]pyrido[2,3-b]indole
CID 134223181
9-[4-[4-(2,3,4,5,6-Pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-2-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-3-ylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzothiophen-2-yl]-2-pyridin-4-ylcarbazole
CID 163644947
6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole
CID 163651342
6-[2-[(1Z)-3-carbazol-9-ylbuta-1,3-dienyl]-3-methylindol-1-yl]-3-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 163664597
N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195053
N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195086
N-(2-fluorophenyl)-N-[7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzothiophen-2-yl]pyridin-2-amine
CID 90363919
N-(2-fluorophenyl)-N-[7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzothiophen-2-yl]pyridin-2-amine
CID 123641818
6-[3,6-Bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 129302953
1,6-Bis[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 129308911
3-[(2Z)-2-[1-([1]benzothiolo[2,3-c]pyridin-3-yl)-3-dibenzothiophen-2-yl-5-fluorobenzimidazol-2-ylidene]-3-dibenzothiophen-2-yl-6-fluorobenzimidazol-1-yl]-[1]benzothiolo[2,3-c]pyridine
CID 134429102
3-[2,5-Bis([1]benzothiolo[2,3-a]carbazol-12-yl)pyridin-4-yl]-5-(trifluoromethyl)benzonitrile
CID 146393927

Frequently Asked Questions

What is the IUPAC name of 6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine (CID 163671721) is 6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine is C1=Cc2c(c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccc7sc8c(-n9c%10c(c%11ccccc%119)CCC=C%10)nccc8c7c6)cccc54)ccc3n2-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)CC1.
What is the InChIKey of 6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is JDDBPBCVMCZFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H53N5S2/c1-8-33-70-57(22-1)58-23-2-9-34-71(58)88(70)83-82-64(44-45-84-83)68-49-55(41-43-78(68)90-82)87-73-36-11-5-27-66(73)80-62(30-17-38-76(80)87)61-29-16-37-75-79(61)65-26-4-10-35-72(65)86(75)54-40-42-74-67(48-54)59-24-3-7-32-69(59)85(74)53-21-14-19-51(47-53)50-18-13-20-52(46-50)56-28-15-31-63-60-25-6-12-39-77(60)89-81(56)63/h1,4-22,25-49H,2-3,23-24H2.
What are the key properties of 6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 1184.51 g/mol, XLogP of 22.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-(3,4-dihydrocarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 163671721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).