8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine

C71H42N4OS — CID 118700105

IUPAC8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5cc7c8ccccc8n(-c8ccccc8)c7cc5n6-c5ccccc5)c5oc6ccc(-c7ccc8sc9ccncc9c8c7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C71H42N4OS/c1-4-14-48(15-5-1)73-62-22-12-10-20-51(62)54-34-45(24-28-64(54)73)47-38-53(71-60(39-47)58-35-43(26-30-68(58)76-71)44-27-31-69-59(36-44)61-42-72-33-32-70(61)77-69)46-25-29-65-55(37-46)57-40-56-52-21-11-13-23-63(52)74(49-16-6-2-7-17-49)66(56)41-67(57)75(65)50-18-8-3-9-19-50/h1-42H
InChIKeyTYOCBYFQTQTYEG-UHFFFAOYSA-N
MW999.21 g/mol
LogP19.64
Rot. Bonds6

About 8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine

8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine (PubChem CID 118700105) has the molecular formula C71H42N4OS and a molecular weight of 999.21 g/mol. Its IUPAC name is 8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine.

Molecular Properties

Compound Name8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine
PubChem CID118700105
Molecular FormulaC71H42N4OS
Molecular Weight999.21 g/mol
Exact Mass998.31
IUPAC Name8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5cc7c8ccccc8n(-c8ccccc8)c7cc5n6-c5ccccc5)c5oc6ccc(-c7ccc8sc9ccncc9c8c7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C71H42N4OS/c1-4-14-48(15-5-1)73-62-22-12-10-20-51(62)54-34-45(24-28-64(54)73)47-38-53(71-60(39-47)58-35-43(26-30-68(58)76-71)44-27-31-69-59(36-44)61-42-72-33-32-70(61)77-69)46-25-29-65-55(37-46)57-40-56-52-21-11-13-23-63(52)74(49-16-6-2-7-17-49)66(56)41-67(57)75(65)50-18-8-3-9-19-50/h1-42H
InChIKeyTYOCBYFQTQTYEG-UHFFFAOYSA-N
XLogP19.64
TPSA40.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.21
LogP ≤ 519.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine?
The IUPAC name of 8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine (CID 118700105) is 8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine.
What is the SMILES notation for 8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine?
The canonical SMILES for 8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine is c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5cc7c8ccccc8n(-c8ccccc8)c7cc5n6-c5ccccc5)c5oc6ccc(-c7ccc8sc9ccncc9c8c7)cc6c5c4)ccc32)cc1.
What is the InChIKey of 8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine?
The InChIKey is TYOCBYFQTQTYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H42N4OS/c1-4-14-48(15-5-1)73-62-22-12-10-20-51(62)54-34-45(24-28-64(54)73)47-38-53(71-60(39-47)58-35-43(26-30-68(58)76-71)44-27-31-69-59(36-44)61-42-72-33-32-70(61)77-69)46-25-29-65-55(37-46)57-40-56-52-21-11-13-23-63(52)74(49-16-6-2-7-17-49)66(56)41-67(57)75(65)50-18-8-3-9-19-50/h1-42H.
What are the key properties of 8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine?
8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine has a molecular weight of 999.21 g/mol, XLogP of 19.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]pyridine is sourced from PubChem (CID 118700105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).