11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole

C94H53N7O2S — CID 130246115

IUPAC11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4oc5ccc(-n6c7ccccc7c7cc8c9ccc(-c%10ccc%11c(-c%12ccccc%12)nc(-c%12cccc%13oc%14ccc(-n%15c%16ccccc%16c%16cc%17sc%18ccccc%18c%17cc%16%15)cc%14c%12%13)nc%11c%10)cc9n(-c9ccccc9)c8cc76)cc5c34)nc3ccccc23)cc1
InChIInChI=1S/C94H53N7O2S/c1-4-20-54(21-5-1)91-65-29-10-14-32-75(65)95-93(97-91)67-30-18-35-85-89(67)74-49-60(41-45-84(74)102-85)101-77-33-15-11-26-61(77)69-50-70-63-42-38-57(47-79(63)99(81(70)53-82(69)101)58-24-8-3-9-25-58)56-39-43-66-76(46-56)96-94(98-92(66)55-22-6-2-7-23-55)68-31-19-36-86-90(68)73-48-59(40-44-83(73)103-86)100-78-34-16-12-27-62(78)71-52-88-72(51-80(71)100)64-28-13-17-37-87(64)104-88/h1-53H
InChIKeyZOWDVCSFBIVDPM-UHFFFAOYSA-N
MW1344.57 g/mol
LogP25.37
Rot. Bonds8

About 11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole

11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole (PubChem CID 130246115) has the molecular formula C94H53N7O2S and a molecular weight of 1344.57 g/mol. Its IUPAC name is 11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole
PubChem CID130246115
Molecular FormulaC94H53N7O2S
Molecular Weight1344.57 g/mol
Exact Mass1343.40
IUPAC Name11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4oc5ccc(-n6c7ccccc7c7cc8c9ccc(-c%10ccc%11c(-c%12ccccc%12)nc(-c%12cccc%13oc%14ccc(-n%15c%16ccccc%16c%16cc%17sc%18ccccc%18c%17cc%16%15)cc%14c%12%13)nc%11c%10)cc9n(-c9ccccc9)c8cc76)cc5c34)nc3ccccc23)cc1
InChIInChI=1S/C94H53N7O2S/c1-4-20-54(21-5-1)91-65-29-10-14-32-75(65)95-93(97-91)67-30-18-35-85-89(67)74-49-60(41-45-84(74)102-85)101-77-33-15-11-26-61(77)69-50-70-63-42-38-57(47-79(63)99(81(70)53-82(69)101)58-24-8-3-9-25-58)56-39-43-66-76(46-56)96-94(98-92(66)55-22-6-2-7-23-55)68-31-19-36-86-90(68)73-48-59(40-44-83(73)103-86)100-78-34-16-12-27-62(78)71-52-88-72(51-80(71)100)64-28-13-17-37-87(64)104-88/h1-53H
InChIKeyZOWDVCSFBIVDPM-UHFFFAOYSA-N
XLogP25.37
TPSA92.63 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001344.57
LogP ≤ 525.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole (CID 130246115) is 11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2nc(-c3cccc4oc5ccc(-n6c7ccccc7c7cc8c9ccc(-c%10ccc%11c(-c%12ccccc%12)nc(-c%12cccc%13oc%14ccc(-n%15c%16ccccc%16c%16cc%17sc%18ccccc%18c%17cc%16%15)cc%14c%12%13)nc%11c%10)cc9n(-c9ccccc9)c8cc76)cc5c34)nc3ccccc23)cc1.
What is the InChIKey of 11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is ZOWDVCSFBIVDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H53N7O2S/c1-4-20-54(21-5-1)91-65-29-10-14-32-75(65)95-93(97-91)67-30-18-35-85-89(67)74-49-60(41-45-84(74)102-85)101-77-33-15-11-26-61(77)69-50-70-63-42-38-57(47-79(63)99(81(70)53-82(69)101)58-24-8-3-9-25-58)56-39-43-66-76(46-56)96-94(98-92(66)55-22-6-2-7-23-55)68-31-19-36-86-90(68)73-48-59(40-44-83(73)103-86)100-78-34-16-12-27-62(78)71-52-88-72(51-80(71)100)64-28-13-17-37-87(64)104-88/h1-53H.
What are the key properties of 11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole?
11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 1344.57 g/mol, XLogP of 25.37, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[9-[4-phenyl-7-[5-phenyl-7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazol-3-yl]quinazolin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 130246115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).