2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole

C68H38N14OS — CID 141390063

IUPAC2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole
SMILESC1=NC2=NC(c3c(-c4n[nH]c5ccccc45)c4c(-c5nccc6c5[nH]c5ccccc56)c(-c5cccc6c5[nH]c5ccccc56)c(-c5cc6ccccc6nn5)c(-c5cccc6oc7ccccc7c56)n4c3-c3nc4ncccc4[nH]3)SC2=N1
InChIInChI=1S/C68H38N14OS/c1-6-22-43-34(14-1)32-48(80-78-43)53-52(41-20-11-19-37-35-15-2-7-23-44(35)73-57(37)41)54(60-59-38(29-31-69-60)36-16-3-8-24-45(36)74-59)62-55(58-39-17-4-9-25-46(39)79-81-58)56(67-77-66-68(84-67)72-33-71-66)63(65-75-47-26-13-30-70-64(47)76-65)82(62)61(53)42-21-12-28-50-51(42)40-18-5-10-27-49(40)83-50/h1-33,67,73-74H,(H,79,81)(H,70,75,76)
InChIKeyIDRALJXHHXOFNZ-UHFFFAOYSA-N
MW1099.22 g/mol
LogP16.18
Rot. Bonds7

About 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole

2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole (PubChem CID 141390063) has the molecular formula C68H38N14OS and a molecular weight of 1099.22 g/mol. Its IUPAC name is 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-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-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole
PubChem CID141390063
Molecular FormulaC68H38N14OS
Molecular Weight1099.22 g/mol
Exact Mass1098.31
IUPAC Name2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole
SMILESC1=NC2=NC(c3c(-c4n[nH]c5ccccc45)c4c(-c5nccc6c5[nH]c5ccccc56)c(-c5cccc6c5[nH]c5ccccc56)c(-c5cc6ccccc6nn5)c(-c5cccc6oc7ccccc7c56)n4c3-c3nc4ncccc4[nH]3)SC2=N1
InChIInChI=1S/C68H38N14OS/c1-6-22-43-34(14-1)32-48(80-78-43)53-52(41-20-11-19-37-35-15-2-7-23-44(35)73-57(37)41)54(60-59-38(29-31-69-60)36-16-3-8-24-45(36)74-59)62-55(58-39-17-4-9-25-46(39)79-81-58)56(67-77-66-68(84-67)72-33-71-66)63(65-75-47-26-13-30-70-64(47)76-65)82(62)61(53)42-21-12-28-50-51(42)40-18-5-10-27-49(40)83-50/h1-33,67,73-74H,(H,79,81)(H,70,75,76)
InChIKeyIDRALJXHHXOFNZ-UHFFFAOYSA-N
XLogP16.18
TPSA195.13 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001099.22
LogP ≤ 516.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole with MolForge

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Related Compounds

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 157634317
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
CID 157938251
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methyl-1H-imidazol-3-ium-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 159968877
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
12-[2-(4,7,8-Triethyl-7-methyl-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl)ethyl]-16-oxa-6,9-diaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 123521305
14-[(4,7,8-Triethyl-7-methyl-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl)methyl]-9-oxa-17,20-diaza-15-azoniahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 123748552
1-[3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-6-pyrimidin-2-yl-1-benzofuran-4-yl]indolizine
CID 141050967
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
CID 141113485
1-[2-(1H-benzimidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrazol-3-yl)-4-quinolin-2-yl-1-benzofuran-3-yl]isoquinoline
CID 141124483
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
2-[2-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(1H-indazol-3-yl)-4-(1H-indol-2-yl)-5-(tetrazin-5-yl)phenyl]-1H-benzimidazole
CID 141274539

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-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-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole (CID 141390063) is 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-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-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-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-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole is C1=NC2=NC(c3c(-c4n[nH]c5ccccc45)c4c(-c5nccc6c5[nH]c5ccccc56)c(-c5cccc6c5[nH]c5ccccc56)c(-c5cc6ccccc6nn5)c(-c5cccc6oc7ccccc7c56)n4c3-c3nc4ncccc4[nH]3)SC2=N1.
What is the InChIKey of 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole?
The InChIKey is IDRALJXHHXOFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H38N14OS/c1-6-22-43-34(14-1)32-48(80-78-43)53-52(41-20-11-19-37-35-15-2-7-23-44(35)73-57(37)41)54(60-59-38(29-31-69-60)36-16-3-8-24-45(36)74-59)62-55(58-39-17-4-9-25-46(39)79-81-58)56(67-77-66-68(84-67)72-33-71-66)63(65-75-47-26-13-30-70-64(47)76-65)82(62)61(53)42-21-12-28-50-51(42)40-18-5-10-27-49(40)83-50/h1-33,67,73-74H,(H,79,81)(H,70,75,76).
What are the key properties of 2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole?
2-[7-(9H-carbazol-1-yl)-6-cinnolin-3-yl-5-dibenzofuran-1-yl-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole has a molecular weight of 1099.22 g/mol, XLogP of 16.18, 7 rotatable bonds, 4 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-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1-(1H-indazol-3-yl)-8-(9H-pyrido[3,4-b]indol-1-yl)indolizin-2-yl]-2H-imidazo[4,5-d][1,3]thiazole is sourced from PubChem (CID 141390063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).