12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole

C101H60N10OS — CID 146360070

IUPAC12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole
SMILESC=c1/c(=C\C=C(/C)n2c3ccccc3c3ccc4c5ccccc5n(-c5nc6c7c(cccc7n5)N(c5cccc(-c7ccc8c(c7)c7ccc9c%10ccccc%10n(-c%10nc%11c%12c(cccc%12n%10)N(c%10ccccc%10)c%10ccccc%10-%11)c9c7n8-c7ccc8sc9ccccc9c8c7)c5)c5ccccc5-6)c4c32)oc2ccccc12
InChIInChI=1S/C101H60N10OS/c1-58(45-53-88-59(2)65-27-11-18-43-89(65)112-88)106-80-36-13-6-28-66(80)70-48-49-71-67-29-7-14-37-81(67)110(98(71)96(70)106)100-103-79-35-22-42-87-93(79)95(105-100)75-33-10-17-40-84(75)108(87)63-26-20-23-60(55-63)61-46-52-85-76(56-61)73-51-50-72-68-30-8-15-38-82(68)111(99(72)97(73)109(85)64-47-54-91-77(57-64)69-31-12-19-44-90(69)113-91)101-102-78-34-21-41-86-92(78)94(104-101)74-32-9-16-39-83(74)107(86)62-24-4-3-5-25-62/h3-57H,2H2,1H3/b58-45+,88-53+
InChIKeyHEVROQYFYKVIDY-QDVIDAQNSA-N
MW1461.73 g/mol
LogP25.41
Rot. Bonds8

About 12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole

12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole (PubChem CID 146360070) has the molecular formula C101H60N10OS and a molecular weight of 1461.73 g/mol. Its IUPAC name is 12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole
PubChem CID146360070
Molecular FormulaC101H60N10OS
Molecular Weight1461.73 g/mol
Exact Mass1460.47
IUPAC Name12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole
SMILESC=c1/c(=C\C=C(/C)n2c3ccccc3c3ccc4c5ccccc5n(-c5nc6c7c(cccc7n5)N(c5cccc(-c7ccc8c(c7)c7ccc9c%10ccccc%10n(-c%10nc%11c%12c(cccc%12n%10)N(c%10ccccc%10)c%10ccccc%10-%11)c9c7n8-c7ccc8sc9ccccc9c8c7)c5)c5ccccc5-6)c4c32)oc2ccccc12
InChIInChI=1S/C101H60N10OS/c1-58(45-53-88-59(2)65-27-11-18-43-89(65)112-88)106-80-36-13-6-28-66(80)70-48-49-71-67-29-7-14-37-81(67)110(98(71)96(70)106)100-103-79-35-22-42-87-93(79)95(105-100)75-33-10-17-40-84(75)108(87)63-26-20-23-60(55-63)61-46-52-85-76(56-61)73-51-50-72-68-30-8-15-38-82(68)111(99(72)97(73)109(85)64-47-54-91-77(57-64)69-31-12-19-44-90(69)113-91)101-102-78-34-21-41-86-92(78)94(104-101)74-32-9-16-39-83(74)107(86)62-24-4-3-5-25-62/h3-57H,2H2,1H3/b58-45+,88-53+
InChIKeyHEVROQYFYKVIDY-QDVIDAQNSA-N
XLogP25.41
TPSA90.90 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001461.73
LogP ≤ 525.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole?
The IUPAC name of 12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole (CID 146360070) is 12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole is C=c1/c(=C\C=C(/C)n2c3ccccc3c3ccc4c5ccccc5n(-c5nc6c7c(cccc7n5)N(c5cccc(-c7ccc8c(c7)c7ccc9c%10ccccc%10n(-c%10nc%11c%12c(cccc%12n%10)N(c%10ccccc%10)c%10ccccc%10-%11)c9c7n8-c7ccc8sc9ccccc9c8c7)c5)c5ccccc5-6)c4c32)oc2ccccc12.
What is the InChIKey of 12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole?
The InChIKey is HEVROQYFYKVIDY-QDVIDAQNSA-N. The full InChI is InChI=1S/C101H60N10OS/c1-58(45-53-88-59(2)65-27-11-18-43-89(65)112-88)106-80-36-13-6-28-66(80)70-48-49-71-67-29-7-14-37-81(67)110(98(71)96(70)106)100-103-79-35-22-42-87-93(79)95(105-100)75-33-10-17-40-84(75)108(87)63-26-20-23-60(55-63)61-46-52-85-76(56-61)73-51-50-72-68-30-8-15-38-82(68)111(99(72)97(73)109(85)64-47-54-91-77(57-64)69-31-12-19-44-90(69)113-91)101-102-78-34-21-41-86-92(78)94(104-101)74-32-9-16-39-83(74)107(86)62-24-4-3-5-25-62/h3-57H,2H2,1H3/b58-45+,88-53+.
What are the key properties of 12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole?
12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole has a molecular weight of 1461.73 g/mol, XLogP of 25.41, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 146360070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).