23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene

C66H37N7OS — CID 154563176

IUPAC23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene
SMILESc1cc(-c2ccc3sc4c5cc6oc7ccccc7c6cc5n(-c5cccn6nc7ccccc7c56)c4c3c2)cc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccn3nc4ccccc4c23)c1
InChIInChI=1S/C66H37N7OS/c1-6-21-51-44(19-1)63-55(25-12-30-69(63)67-51)72-54-24-9-4-17-42(54)47-34-57-46(35-58(47)72)41-16-3-8-23-53(41)71(57)40-15-11-14-38(32-40)39-28-29-62-50(33-39)65-66(75-62)49-37-61-48(43-18-5-10-27-60(43)74-61)36-59(49)73(65)56-26-13-31-70-64(56)45-20-2-7-22-52(45)68-70/h1-37H
InChIKeyICRWVIJKWDYMTG-UHFFFAOYSA-N
MW976.14 g/mol
LogP17.36
Rot. Bonds4

About 23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene

23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene (PubChem CID 154563176) has the molecular formula C66H37N7OS and a molecular weight of 976.14 g/mol. Its IUPAC name is 23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene.

Molecular Properties

Compound Name23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene
PubChem CID154563176
Molecular FormulaC66H37N7OS
Molecular Weight976.14 g/mol
Exact Mass975.28
IUPAC Name23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene
SMILESc1cc(-c2ccc3sc4c5cc6oc7ccccc7c6cc5n(-c5cccn6nc7ccccc7c56)c4c3c2)cc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccn3nc4ccccc4c23)c1
InChIInChI=1S/C66H37N7OS/c1-6-21-51-44(19-1)63-55(25-12-30-69(63)67-51)72-54-24-9-4-17-42(54)47-34-57-46(35-58(47)72)41-16-3-8-23-53(41)71(57)40-15-11-14-38(32-40)39-28-29-62-50(33-39)65-66(75-62)49-37-61-48(43-18-5-10-27-60(43)74-61)36-59(49)73(65)56-26-13-31-70-64(56)45-20-2-7-22-52(45)68-70/h1-37H
InChIKeyICRWVIJKWDYMTG-UHFFFAOYSA-N
XLogP17.36
TPSA62.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.14
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene with MolForge

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Related Compounds

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2-[8-[8-[8-[3,7-Bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]-5-phenyl-1,3,4-oxadiazole
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CID 58099690
9-Dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole
CID 58501585
5-Dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole
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8-[8-[3-[8-(4,8,12-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
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CID 59358299
CID 59358486
CID 59358486

Frequently Asked Questions

What is the IUPAC name of 23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene?
The IUPAC name of 23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene (CID 154563176) is 23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene.
What is the SMILES notation for 23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene?
The canonical SMILES for 23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene is c1cc(-c2ccc3sc4c5cc6oc7ccccc7c6cc5n(-c5cccn6nc7ccccc7c56)c4c3c2)cc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccn3nc4ccccc4c23)c1.
What is the InChIKey of 23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene?
The InChIKey is ICRWVIJKWDYMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H37N7OS/c1-6-21-51-44(19-1)63-55(25-12-30-69(63)67-51)72-54-24-9-4-17-42(54)47-34-57-46(35-58(47)72)41-16-3-8-23-53(41)71(57)40-15-11-14-38(32-40)39-28-29-62-50(33-39)65-66(75-62)49-37-61-48(43-18-5-10-27-60(43)74-61)36-59(49)73(65)56-26-13-31-70-64(56)45-20-2-7-22-52(45)68-70/h1-37H.
What are the key properties of 23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene?
23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene has a molecular weight of 976.14 g/mol, XLogP of 17.36, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 23-pyrido[1,2-b]indazol-10-yl-19-[3-(11-pyrido[1,2-b]indazol-10-ylindolo[3,2-b]carbazol-5-yl)phenyl]-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16(21),17,19-decaene is sourced from PubChem (CID 154563176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).