5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole

C108H59N3O4S2 — CID 146407256

IUPAC5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc(-c4cccc5c4sc4ccc(-c6cc7c8ccccc8oc7c7c6c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccc(-c9cc%10c%11ccccc%11oc%10c%10c9c9ccccc9n%10-c9ccc(-c%10cccc%11sc%12ccccc%12c%10%11)cc9)cc78)cc6)cc45)cc3)c21
InChIInChI=1S/C108H59N3O4S2/c1-8-30-88-71(18-1)75-52-53-77-72-19-4-11-33-91(72)113-105(77)101(75)109(88)65-50-42-62(43-51-65)70-27-16-29-78-85-57-64(45-55-96(85)117-108(70)78)83-59-87-74-21-6-13-35-93(74)115-107(87)103-100(83)80-23-3-10-32-90(80)111(103)67-48-40-61(41-49-67)69-26-15-28-76-84-56-63(44-54-94(84)112-104(69)76)82-58-86-73-20-5-12-34-92(73)114-106(86)102-99(82)79-22-2-9-31-89(79)110(102)66-46-38-60(39-47-66)68-25-17-37-97-98(68)81-24-7-14-36-95(81)116-97/h1-59H
InChIKeySOZQYVHVWRAHGG-UHFFFAOYSA-N
MW1526.81 g/mol
LogP31.65
Rot. Bonds8

About 5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole

5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 146407256) has the molecular formula C108H59N3O4S2 and a molecular weight of 1526.81 g/mol. Its IUPAC name is 5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID146407256
Molecular FormulaC108H59N3O4S2
Molecular Weight1526.81 g/mol
Exact Mass1525.39
IUPAC Name5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc(-c4cccc5c4sc4ccc(-c6cc7c8ccccc8oc7c7c6c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccc(-c9cc%10c%11ccccc%11oc%10c%10c9c9ccccc9n%10-c9ccc(-c%10cccc%11sc%12ccccc%12c%10%11)cc9)cc78)cc6)cc45)cc3)c21
InChIInChI=1S/C108H59N3O4S2/c1-8-30-88-71(18-1)75-52-53-77-72-19-4-11-33-91(72)113-105(77)101(75)109(88)65-50-42-62(43-51-65)70-27-16-29-78-85-57-64(45-55-96(85)117-108(70)78)83-59-87-74-21-6-13-35-93(74)115-107(87)103-100(83)80-23-3-10-32-90(80)111(103)67-48-40-61(41-49-67)69-26-15-28-76-84-56-63(44-54-94(84)112-104(69)76)82-58-86-73-20-5-12-34-92(73)114-106(86)102-99(82)79-22-2-9-31-89(79)110(102)66-46-38-60(39-47-66)68-25-17-37-97-98(68)81-24-7-14-36-95(81)116-97/h1-59H
InChIKeySOZQYVHVWRAHGG-UHFFFAOYSA-N
XLogP31.65
TPSA67.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001526.81
LogP ≤ 531.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 146407256) is 5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole is c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc(-c4cccc5c4sc4ccc(-c6cc7c8ccccc8oc7c7c6c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccc(-c9cc%10c%11ccccc%11oc%10c%10c9c9ccccc9n%10-c9ccc(-c%10cccc%11sc%12ccccc%12c%10%11)cc9)cc78)cc6)cc45)cc3)c21.
What is the InChIKey of 5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is SOZQYVHVWRAHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H59N3O4S2/c1-8-30-88-71(18-1)75-52-53-77-72-19-4-11-33-91(72)113-105(77)101(75)109(88)65-50-42-62(43-51-65)70-27-16-29-78-85-57-64(45-55-96(85)117-108(70)78)83-59-87-74-21-6-13-35-93(74)115-107(87)103-100(83)80-23-3-10-32-90(80)111(103)67-48-40-61(41-49-67)69-26-15-28-76-84-56-63(44-54-94(84)112-104(69)76)82-58-86-73-20-5-12-34-92(73)114-106(86)102-99(82)79-22-2-9-31-89(79)110(102)66-46-38-60(39-47-66)68-25-17-37-97-98(68)81-24-7-14-36-95(81)116-97/h1-59H.
What are the key properties of 5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole?
5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1526.81 g/mol, XLogP of 31.65, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzothiophen-2-yl]-12-[4-[8-[12-(4-dibenzothiophen-1-ylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]dibenzofuran-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 146407256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).