6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

C84H48N10OS — CID 129253560

IUPAC6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cnc2c(c1)oc1c(-c3ccn4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8sc9cccnc9c8c7)ccc65)nc4c3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cn6ccccc6n5)ccc43)cc12
InChIInChI=1S/C84H48N10OS/c1-5-17-67-56(13-1)61-39-49(24-29-71(61)91(67)54-28-33-76-65(44-54)83-77(96-76)22-12-36-86-83)51-27-32-74-64(42-51)59-16-4-8-20-70(59)94(74)81-48-90-38-34-53(43-79(90)88-81)60-45-55(46-66-82-75(95-84(60)66)21-11-35-85-82)92-68-18-6-2-14-57(68)62-40-50(25-30-72(62)92)52-26-31-73-63(41-52)58-15-3-7-19-69(58)93(73)80-47-89-37-10-9-23-78(89)87-80/h1-48H
InChIKeyYBXLMLMQFZRHHF-UHFFFAOYSA-N
MW1245.44 g/mol
LogP21.43
Rot. Bonds7

About 6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 129253560) has the molecular formula C84H48N10OS and a molecular weight of 1245.44 g/mol. Its IUPAC name is 6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID129253560
Molecular FormulaC84H48N10OS
Molecular Weight1245.44 g/mol
Exact Mass1244.37
IUPAC Name6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cnc2c(c1)oc1c(-c3ccn4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8sc9cccnc9c8c7)ccc65)nc4c3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cn6ccccc6n5)ccc43)cc12
InChIInChI=1S/C84H48N10OS/c1-5-17-67-56(13-1)61-39-49(24-29-71(61)91(67)54-28-33-76-65(44-54)83-77(96-76)22-12-36-86-83)51-27-32-74-64(42-51)59-16-4-8-20-70(59)94(74)81-48-90-38-34-53(43-79(90)88-81)60-45-55(46-66-82-75(95-84(60)66)21-11-35-85-82)92-68-18-6-2-14-57(68)62-40-50(25-30-72(62)92)52-26-31-73-63(41-52)58-15-3-7-19-69(58)93(73)80-47-89-37-10-9-23-78(89)87-80/h1-48H
InChIKeyYBXLMLMQFZRHHF-UHFFFAOYSA-N
XLogP21.43
TPSA93.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001245.44
LogP ≤ 521.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine (CID 129253560) is 6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine is c1cnc2c(c1)oc1c(-c3ccn4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8sc9cccnc9c8c7)ccc65)nc4c3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cn6ccccc6n5)ccc43)cc12.
What is the InChIKey of 6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is YBXLMLMQFZRHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48N10OS/c1-5-17-67-56(13-1)61-39-49(24-29-71(61)91(67)54-28-33-76-65(44-54)83-77(96-76)22-12-36-86-83)51-27-32-74-64(42-51)59-16-4-8-20-70(59)94(74)81-48-90-38-34-53(43-79(90)88-81)60-45-55(46-66-82-75(95-84(60)66)21-11-35-85-82)92-68-18-6-2-14-57(68)62-40-50(25-30-72(62)92)52-26-31-73-63(41-52)58-15-3-7-19-69(58)93(73)80-47-89-37-10-9-23-78(89)87-80/h1-48H.
What are the key properties of 6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1245.44 g/mol, XLogP of 21.43, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 129253560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).