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

C72H43N15OS — CID 141390057

IUPAC2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole
SMILESC1=NC2=NC(C3c4c(-c5nc6ncccc6[nH]5)c(-c5cccc6oc7ccccc7c56)c(-c5cc6ccccc6nn5)c(-c5cccc6c5[nH]c5ccccc56)c4N(c4nccc5c4[nH]c4ccccc45)C3(c3ccc[nH]3)c3n[nH]c4ccccc34)SC2=N1
InChIInChI=1S/C72H43N15OS/c1-6-23-46-37(15-1)35-51(85-83-46)58-56(44-21-12-29-53-55(44)43-19-5-10-28-52(43)88-53)59(67-80-50-27-13-33-74-66(50)81-67)60-61(70-82-68-71(89-70)77-36-76-68)72(54-30-14-32-73-54,65-42-18-4-9-26-49(42)84-86-65)87(69-63-41(31-34-75-69)39-17-3-8-25-48(39)79-63)64(60)57(58)45-22-11-20-40-38-16-2-7-24-47(38)78-62(40)45/h1-36,61,70,73,78-79H,(H,84,86)(H,74,80,81)
InChIKeyWMQOZPAJPHGQMX-UHFFFAOYSA-N
MW1166.31 g/mol
LogP16.43
Rot. Bonds8

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

2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole (PubChem CID 141390057) has the molecular formula C72H43N15OS and a molecular weight of 1166.31 g/mol. Its IUPAC name is 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole.

Molecular Properties

Compound Name2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole
PubChem CID141390057
Molecular FormulaC72H43N15OS
Molecular Weight1166.31 g/mol
Exact Mass1165.35
IUPAC Name2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole
SMILESC1=NC2=NC(C3c4c(-c5nc6ncccc6[nH]5)c(-c5cccc6oc7ccccc7c56)c(-c5cc6ccccc6nn5)c(-c5cccc6c5[nH]c5ccccc56)c4N(c4nccc5c4[nH]c4ccccc45)C3(c3ccc[nH]3)c3n[nH]c4ccccc34)SC2=N1
InChIInChI=1S/C72H43N15OS/c1-6-23-46-37(15-1)35-51(85-83-46)58-56(44-21-12-29-53-55(44)43-19-5-10-28-52(43)88-53)59(67-80-50-27-13-33-74-66(50)81-67)60-61(70-82-68-71(89-70)77-36-76-68)72(54-30-14-32-73-54,65-42-18-4-9-26-49(42)84-86-65)87(69-63-41(31-34-75-69)39-17-3-8-25-48(39)79-63)64(60)57(58)45-22-11-20-40-38-16-2-7-24-47(38)78-62(40)45/h1-36,61,70,73,78-79H,(H,84,86)(H,74,80,81)
InChIKeyWMQOZPAJPHGQMX-UHFFFAOYSA-N
XLogP16.43
TPSA209.75 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001166.31
LogP ≤ 516.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-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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CID 59358842
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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
CID 91138482
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
CID 123167562
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
CID 140969703
1-[2-(1-benzofuran-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-6-pyrimidin-2-yl-1-benzothiophen-3-yl]-2H-isoindole
CID 141099597
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
CID 141193599
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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3-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(7H-purin-2-yl)phenyl]cinnoline
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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

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole?
The IUPAC name of 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole (CID 141390057) is 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole.
What is the SMILES notation for 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole?
The canonical SMILES for 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole is C1=NC2=NC(C3c4c(-c5nc6ncccc6[nH]5)c(-c5cccc6oc7ccccc7c56)c(-c5cc6ccccc6nn5)c(-c5cccc6c5[nH]c5ccccc56)c4N(c4nccc5c4[nH]c4ccccc45)C3(c3ccc[nH]3)c3n[nH]c4ccccc34)SC2=N1.
What is the InChIKey of 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole?
The InChIKey is WMQOZPAJPHGQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H43N15OS/c1-6-23-46-37(15-1)35-51(85-83-46)58-56(44-21-12-29-53-55(44)43-19-5-10-28-52(43)88-53)59(67-80-50-27-13-33-74-66(50)81-67)60-61(70-82-68-71(89-70)77-36-76-68)72(54-30-14-32-73-54,65-42-18-4-9-26-49(42)84-86-65)87(69-63-41(31-34-75-69)39-17-3-8-25-48(39)79-63)64(60)57(58)45-22-11-20-40-38-16-2-7-24-47(38)78-62(40)45/h1-36,61,70,73,78-79H,(H,84,86)(H,74,80,81).
What are the key properties of 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole?
2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole has a molecular weight of 1166.31 g/mol, XLogP of 16.43, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-(1H-indazol-3-yl)-1-(9H-pyrido[3,4-b]indol-1-yl)-2-(1H-pyrrol-2-yl)-3H-indol-3-yl]-2H-imidazo[4,5-d][1,3]thiazole is sourced from PubChem (CID 141390057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).