1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

C84H53N5S2 — CID 167077371

IUPAC1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESC=Cc1c(/C=C\C)n(-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)c2ccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccc6sc7c(-n8c9ccccc9c9ccccc98)nccc7c6c5)cccc43)cc12
InChIInChI=1S/C84H53N5S2/c1-3-20-70-57(4-2)68-49-55(41-43-75(68)86(70)54-24-16-22-52(48-54)51-21-15-23-53(47-51)58-30-17-33-64-61-27-9-14-40-78(61)90-82(58)64)87-73-36-12-7-28-66(73)80-62(31-18-38-76(80)87)63-32-19-39-77-81(63)67-29-8-13-37-74(67)88(77)56-42-44-79-69(50-56)65-45-46-85-84(83(65)91-79)89-71-34-10-5-25-59(71)60-26-6-11-35-72(60)89/h3-50H,2H2,1H3/b20-3-
InChIKeyQNHZSFOVFQZIGI-DYUKFFQPSA-N
MW1196.52 g/mol
LogP23.73
Rot. Bonds9

About 1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 167077371) has the molecular formula C84H53N5S2 and a molecular weight of 1196.52 g/mol. Its IUPAC name is 1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID167077371
Molecular FormulaC84H53N5S2
Molecular Weight1196.52 g/mol
Exact Mass1195.37
IUPAC Name1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESC=Cc1c(/C=C\C)n(-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)c2ccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccc6sc7c(-n8c9ccccc9c9ccccc98)nccc7c6c5)cccc43)cc12
InChIInChI=1S/C84H53N5S2/c1-3-20-70-57(4-2)68-49-55(41-43-75(68)86(70)54-24-16-22-52(48-54)51-21-15-23-53(47-51)58-30-17-33-64-61-27-9-14-40-78(61)90-82(58)64)87-73-36-12-7-28-66(73)80-62(31-18-38-76(80)87)63-32-19-39-77-81(63)67-29-8-13-37-74(67)88(77)56-42-44-79-69(50-56)65-45-46-85-84(83(65)91-79)89-71-34-10-5-25-59(71)60-26-6-11-35-72(60)89/h3-50H,2H2,1H3/b20-3-
InChIKeyQNHZSFOVFQZIGI-DYUKFFQPSA-N
XLogP23.73
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001196.52
LogP ≤ 523.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 138481747
6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 170224536
1-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 59413726
3,9-bis(9-phenylcarbazol-3-yl)carbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 159771301
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
CID 70847801
3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166807262
(Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole
CID 144644305
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (CID 167077371) is 1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is C=Cc1c(/C=C\C)n(-c2cccc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)c2)c2ccc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccc6sc7c(-n8c9ccccc9c9ccccc98)nccc7c6c5)cccc43)cc12.
What is the InChIKey of 1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is QNHZSFOVFQZIGI-DYUKFFQPSA-N. The full InChI is InChI=1S/C84H53N5S2/c1-3-20-70-57(4-2)68-49-55(41-43-75(68)86(70)54-24-16-22-52(48-54)51-21-15-23-53(47-51)58-30-17-33-64-61-27-9-14-40-78(61)90-82(58)64)87-73-36-12-7-28-66(73)80-62(31-18-38-76(80)87)63-32-19-39-77-81(63)67-29-8-13-37-74(67)88(77)56-42-44-79-69(50-56)65-45-46-85-84(83(65)91-79)89-71-34-10-5-25-59(71)60-26-6-11-35-72(60)89/h3-50H,2H2,1H3/b20-3-.
What are the key properties of 1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 1196.52 g/mol, XLogP of 23.73, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-6-[4-[9-[1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-5-yl]carbazol-4-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 167077371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).