2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole

C65H37N13OS — CID 141390059

IUPAC2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole
SMILESC1=NC2=NC(c3c(-c4nc5ncccc5[nH]4)c(-c4cccc5oc6ccccc6c45)c(-c4cc5ccccc5nn4)c4c3c(-c3n[nH]c5ccccc35)c(-c3ccn5ccccc35)n4-c3cccc4c3[nH]c3ccccc34)SC2=N1
InChIInChI=1S/C65H37N13OS/c1-5-20-41-34(14-1)32-45(75-73-41)52-51(40-19-12-27-49-50(40)39-17-4-8-26-48(39)79-49)54(62-70-44-23-13-29-66-61(44)71-62)55(64-72-63-65(80-64)68-33-67-63)53-56(58-37-16-3-7-22-43(37)74-76-58)59(38-28-31-77-30-10-9-24-46(38)77)78(60(52)53)47-25-11-18-36-35-15-2-6-21-42(35)69-57(36)47/h1-33,64,69H,(H,74,76)(H,66,70,71)
InChIKeyMADGQSYEQYMCRC-UHFFFAOYSA-N
MW1048.17 g/mol
LogP15.43
Rot. Bonds7

About 2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole

2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole (PubChem CID 141390059) has the molecular formula C65H37N13OS and a molecular weight of 1048.17 g/mol. Its IUPAC name is 2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole.

Molecular Properties

Compound Name2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole
PubChem CID141390059
Molecular FormulaC65H37N13OS
Molecular Weight1048.17 g/mol
Exact Mass1047.30
IUPAC Name2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole
SMILESC1=NC2=NC(c3c(-c4nc5ncccc5[nH]4)c(-c4cccc5oc6ccccc6c45)c(-c4cc5ccccc5nn4)c4c3c(-c3n[nH]c5ccccc35)c(-c3ccn5ccccc35)n4-c3cccc4c3[nH]c3ccccc34)SC2=N1
InChIInChI=1S/C65H37N13OS/c1-5-20-41-34(14-1)32-45(75-73-41)52-51(40-19-12-27-49-50(40)39-17-4-8-26-48(39)79-49)54(62-70-44-23-13-29-66-61(44)71-62)55(64-72-63-65(80-64)68-33-67-63)53-56(58-37-16-3-7-22-43(37)74-76-58)59(38-28-31-77-30-10-9-24-46(38)77)78(60(52)53)47-25-11-18-36-35-15-2-6-21-42(35)69-57(36)47/h1-33,64,69H,(H,74,76)(H,66,70,71)
InChIKeyMADGQSYEQYMCRC-UHFFFAOYSA-N
XLogP15.43
TPSA171.38 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001048.17
LogP ≤ 515.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole with MolForge

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Related Compounds

6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;methane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
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14-[3-(3-Dibenzofuran-2-ylcarbazol-9-yl)phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaene;iridium;4-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-1-phenylpyrazole
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1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole
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4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
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10-(4-carbazol-9-yl-1H-pyrrol-2-yl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
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5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole
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4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole
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1-[2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-quinolin-2-yl-6-(1H-1,2,4-triazol-3-yl)-1H-indol-3-yl]isoquinoline
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3-(1H-benzimidazol-2-yl)-4-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(tetrazin-5-yl)-1H-indazole
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1-[4-(9H-carbazol-1-yl)-6-cinnolin-3-yl-6-(1H-indazol-3-yl)-8a-indolizin-1-yl-7-(1H-indol-2-yl)-8-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-1-(1,5-naphthyridin-2-yl)-2-phenanthridin-1-yl-2-phthalazin-1-yl-5-pteridin-2-yl-5-(7H-purin-2-yl)-3-(9H-pyrido[3,4-b]indol-1-yl)-7-quinazolin-2-yl-3-quinolin-2-yl-4a-(4H-quinolizin-1-yl)-8-quinoxalin-2-ylnaphthalen-1-yl]-6-(1H-imidazol-2-yl)-8-phenoxathiin-1-yl-4-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyrimidin-2-yl-7-(1H-pyrrol-2-yl)acridine
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole?
The IUPAC name of 2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole (CID 141390059) is 2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole.
What is the SMILES notation for 2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole?
The canonical SMILES for 2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole is C1=NC2=NC(c3c(-c4nc5ncccc5[nH]4)c(-c4cccc5oc6ccccc6c45)c(-c4cc5ccccc5nn4)c4c3c(-c3n[nH]c5ccccc35)c(-c3ccn5ccccc35)n4-c3cccc4c3[nH]c3ccccc34)SC2=N1.
What is the InChIKey of 2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole?
The InChIKey is MADGQSYEQYMCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H37N13OS/c1-5-20-41-34(14-1)32-45(75-73-41)52-51(40-19-12-27-49-50(40)39-17-4-8-26-48(39)79-49)54(62-70-44-23-13-29-66-61(44)71-62)55(64-72-63-65(80-64)68-33-67-63)53-56(58-37-16-3-7-22-43(37)74-76-58)59(38-28-31-77-30-10-9-24-46(38)77)78(60(52)53)47-25-11-18-36-35-15-2-6-21-42(35)69-57(36)47/h1-33,64,69H,(H,74,76)(H,66,70,71).
What are the key properties of 2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole?
2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole has a molecular weight of 1048.17 g/mol, XLogP of 15.43, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(9H-carbazol-1-yl)-7-cinnolin-3-yl-6-dibenzofuran-1-yl-5-(1H-imidazo[4,5-b]pyridin-2-yl)-3-(1H-indazol-3-yl)-2-indolizin-1-ylindol-4-yl]-2H-imidazo[4,5-d][1,3]thiazole is sourced from PubChem (CID 141390059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).