11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole

C83H51N5OS — CID 121444249

IUPAC11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2ccc3nc(-c4cccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4)nc(-c4cccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)c4)c3c2)c1
InChIInChI=1S/C83H51N5OS/c1-83(2)68-30-9-3-24-55(68)61-43-74-62(42-69(61)83)56-25-4-10-31-71(56)86(74)52-21-15-18-48(38-52)49-36-37-70-67(41-49)81(50-19-16-22-53(39-50)87-73-33-12-6-27-58(73)64-47-80-66(45-76(64)87)60-29-8-14-35-79(60)90-80)85-82(84-70)51-20-17-23-54(40-51)88-72-32-11-5-26-57(72)63-46-78-65(44-75(63)88)59-28-7-13-34-77(59)89-78/h3-47H,1-2H3
InChIKeyZINANHZVAKFEBS-UHFFFAOYSA-N
MW1166.42 g/mol
LogP22.50
Rot. Bonds6

About 11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole

11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 121444249) has the molecular formula C83H51N5OS and a molecular weight of 1166.42 g/mol. Its IUPAC name is 11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID121444249
Molecular FormulaC83H51N5OS
Molecular Weight1166.42 g/mol
Exact Mass1165.38
IUPAC Name11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2ccc3nc(-c4cccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4)nc(-c4cccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)c4)c3c2)c1
InChIInChI=1S/C83H51N5OS/c1-83(2)68-30-9-3-24-55(68)61-43-74-62(42-69(61)83)56-25-4-10-31-71(56)86(74)52-21-15-18-48(38-52)49-36-37-70-67(41-49)81(50-19-16-22-53(39-50)87-73-33-12-6-27-58(73)64-47-80-66(45-76(64)87)60-29-8-14-35-79(60)90-80)85-82(84-70)51-20-17-23-54(40-51)88-72-32-11-5-26-57(72)63-46-78-65(44-75(63)88)59-28-7-13-34-77(59)89-78/h3-47H,1-2H3
InChIKeyZINANHZVAKFEBS-UHFFFAOYSA-N
XLogP22.50
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.42
LogP ≤ 522.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole (CID 121444249) is 11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2ccc3nc(-c4cccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4)nc(-c4cccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)c4)c3c2)c1.
What is the InChIKey of 11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is ZINANHZVAKFEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H51N5OS/c1-83(2)68-30-9-3-24-55(68)61-43-74-62(42-69(61)83)56-25-4-10-31-71(56)86(74)52-21-15-18-48(38-52)49-36-37-70-67(41-49)81(50-19-16-22-53(39-50)87-73-33-12-6-27-58(73)64-47-80-66(45-76(64)87)60-29-8-14-35-79(60)90-80)85-82(84-70)51-20-17-23-54(40-51)88-72-32-11-5-26-57(72)63-46-78-65(44-75(63)88)59-28-7-13-34-77(59)89-78/h3-47H,1-2H3.
What are the key properties of 11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 1166.42 g/mol, XLogP of 22.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 121444249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).