11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline

C90H52N6OS — CID 138662827

IUPAC11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7sc8c(-n9c%10ccccc%10c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)ccc%109)c9ccccc9nc8c7c6)ccc4n5-c4c5ccccc5nc5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C90H52N6OS/c1-3-19-59(20-4-1)93-75-31-15-9-23-61(75)67-47-53(35-41-78(67)93)55-37-43-80-69(49-55)63-25-11-17-33-77(63)96(80)88-65-27-8-14-30-74(65)92-86-72-52-58(40-46-84(72)98-90(86)88)57-39-45-82-71(51-57)70-50-56(54-36-42-79-68(48-54)62-24-10-16-32-76(62)94(79)60-21-5-2-6-22-60)38-44-81(70)95(82)87-64-26-7-13-29-73(64)91-85-66-28-12-18-34-83(66)97-89(85)87/h1-52H
InChIKeyZPNZPDICODURBZ-UHFFFAOYSA-N
MW1265.51 g/mol
LogP24.44
Rot. Bonds7

About 11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline

11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline (PubChem CID 138662827) has the molecular formula C90H52N6OS and a molecular weight of 1265.51 g/mol. Its IUPAC name is 11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
PubChem CID138662827
Molecular FormulaC90H52N6OS
Molecular Weight1265.51 g/mol
Exact Mass1264.39
IUPAC Name11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7sc8c(-n9c%10ccccc%10c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)ccc%109)c9ccccc9nc8c7c6)ccc4n5-c4c5ccccc5nc5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C90H52N6OS/c1-3-19-59(20-4-1)93-75-31-15-9-23-61(75)67-47-53(35-41-78(67)93)55-37-43-80-69(49-55)63-25-11-17-33-77(63)96(80)88-65-27-8-14-30-74(65)92-86-72-52-58(40-46-84(72)98-90(86)88)57-39-45-82-71(51-57)70-50-56(54-36-42-79-68(48-54)62-24-10-16-32-76(62)94(79)60-21-5-2-6-22-60)38-44-81(70)95(82)87-64-26-7-13-29-73(64)91-85-66-28-12-18-34-83(66)97-89(85)87/h1-52H
InChIKeyZPNZPDICODURBZ-UHFFFAOYSA-N
XLogP24.44
TPSA58.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001265.51
LogP ≤ 524.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline (CID 138662827) is 11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7sc8c(-n9c%10ccccc%10c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)ccc%109)c9ccccc9nc8c7c6)ccc4n5-c4c5ccccc5nc5c4oc4ccccc45)ccc32)cc1.
What is the InChIKey of 11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
The InChIKey is ZPNZPDICODURBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H52N6OS/c1-3-19-59(20-4-1)93-75-31-15-9-23-61(75)67-47-53(35-41-78(67)93)55-37-43-80-69(49-55)63-25-11-17-33-77(63)96(80)88-65-27-8-14-30-74(65)92-86-72-52-58(40-46-84(72)98-90(86)88)57-39-45-82-71(51-57)70-50-56(54-36-42-79-68(48-54)62-24-10-16-32-76(62)94(79)60-21-5-2-6-22-60)38-44-81(70)95(82)87-64-26-7-13-29-73(64)91-85-66-28-12-18-34-83(66)97-89(85)87/h1-52H.
What are the key properties of 11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline?
11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline has a molecular weight of 1265.51 g/mol, XLogP of 24.44, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(9-phenylcarbazol-3-yl)-6-[11-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]quinolin-7-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138662827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).