12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene

C107H59N9OS2 — CID 146582156

IUPAC12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6oc5c5c(-c6ccc7c8c9c%10ccccc%10sc9c9cc(-c%10cccc%11c%10c%10ccccc%10n%11-c%10ccc%11sc%12c(-n%13c%14ccccc%14c%14ccccc%14%13)nccc%12c%11c%10)ccc9c8n(-c8nc(-c9ccccc9)c9ccccc9n8)c7c6)cccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C107H59N9OS2/c1-3-25-60(26-4-1)98-71-31-7-15-40-81(71)109-106(111-98)115-86-45-20-12-34-74(86)94-96-76-35-13-21-47-89(76)117-102(96)93-66(37-23-39-78(93)101(94)115)63-50-53-75-88(58-63)116(107-110-82-41-16-8-32-72(82)99(112-107)61-27-5-2-6-28-61)100-69-52-49-62(57-80(69)103-97(95(75)100)77-36-14-22-48-90(77)118-103)65-38-24-46-87-92(65)73-33-11-19-44-85(73)113(87)64-51-54-91-79(59-64)70-55-56-108-105(104(70)119-91)114-83-42-17-9-29-67(83)68-30-10-18-43-84(68)114/h1-59H
InChIKeyDOYASRYOQQKAEQ-UHFFFAOYSA-N
MW1550.84 g/mol
LogP28.97
Rot. Bonds8

About 12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene

12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene (PubChem CID 146582156) has the molecular formula C107H59N9OS2 and a molecular weight of 1550.84 g/mol. Its IUPAC name is 12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene.

Molecular Properties

Compound Name12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene
PubChem CID146582156
Molecular FormulaC107H59N9OS2
Molecular Weight1550.84 g/mol
Exact Mass1549.43
IUPAC Name12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6oc5c5c(-c6ccc7c8c9c%10ccccc%10sc9c9cc(-c%10cccc%11c%10c%10ccccc%10n%11-c%10ccc%11sc%12c(-n%13c%14ccccc%14c%14ccccc%14%13)nccc%12c%11c%10)ccc9c8n(-c8nc(-c9ccccc9)c9ccccc9n8)c7c6)cccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C107H59N9OS2/c1-3-25-60(26-4-1)98-71-31-7-15-40-81(71)109-106(111-98)115-86-45-20-12-34-74(86)94-96-76-35-13-21-47-89(76)117-102(96)93-66(37-23-39-78(93)101(94)115)63-50-53-75-88(58-63)116(107-110-82-41-16-8-32-72(82)99(112-107)61-27-5-2-6-28-61)100-69-52-49-62(57-80(69)103-97(95(75)100)77-36-14-22-48-90(77)118-103)65-38-24-46-87-92(65)73-33-11-19-44-85(73)113(87)64-51-54-91-79(59-64)70-55-56-108-105(104(70)119-91)114-83-42-17-9-29-67(83)68-30-10-18-43-84(68)114/h1-59H
InChIKeyDOYASRYOQQKAEQ-UHFFFAOYSA-N
XLogP28.97
TPSA97.31 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001550.84
LogP ≤ 528.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene?
The IUPAC name of 12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene (CID 146582156) is 12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene.
What is the SMILES notation for 12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene?
The canonical SMILES for 12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene is c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6oc5c5c(-c6ccc7c8c9c%10ccccc%10sc9c9cc(-c%10cccc%11c%10c%10ccccc%10n%11-c%10ccc%11sc%12c(-n%13c%14ccccc%14c%14ccccc%14%13)nccc%12c%11c%10)ccc9c8n(-c8nc(-c9ccccc9)c9ccccc9n8)c7c6)cccc5c43)nc3ccccc23)cc1.
What is the InChIKey of 12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene?
The InChIKey is DOYASRYOQQKAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H59N9OS2/c1-3-25-60(26-4-1)98-71-31-7-15-40-81(71)109-106(111-98)115-86-45-20-12-34-74(86)94-96-76-35-13-21-47-89(76)117-102(96)93-66(37-23-39-78(93)101(94)115)63-50-53-75-88(58-63)116(107-110-82-41-16-8-32-72(82)99(112-107)61-27-5-2-6-28-61)100-69-52-49-62(57-80(69)103-97(95(75)100)77-36-14-22-48-90(77)118-103)65-38-24-46-87-92(65)73-33-11-19-44-85(73)113(87)64-51-54-91-79(59-64)70-55-56-108-105(104(70)119-91)114-83-42-17-9-29-67(83)68-30-10-18-43-84(68)114/h1-59H.
What are the key properties of 12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene?
12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene has a molecular weight of 1550.84 g/mol, XLogP of 28.97, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[13-[9-(1-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-6-yl)carbazol-4-yl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene is sourced from PubChem (CID 146582156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).