9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole

C80H43F6N13 — CID 138593219

IUPAC9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1cc(-c2ccccn2)nc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-c7nc(-c8ccccn8)nc(-n8c9ccc(F)cc9c9cc(F)ccc98)n7)cc6)cn5)cc(-n5c6ccc(F)cc6c6cc(F)ccc65)n4)cc3)cn2)c1
InChIInChI=1S/C80H43F6N13/c81-50-17-25-70-57(33-50)58-34-51(82)18-26-71(58)97(70)56-39-67(63-5-1-3-31-87-63)91-68(40-56)64-23-15-48(42-89-64)44-7-11-46(12-8-44)77-92-69(41-76(93-77)98-72-27-19-52(83)35-59(72)60-36-53(84)20-28-73(60)98)65-24-16-49(43-90-65)45-9-13-47(14-10-45)78-94-79(66-6-2-4-32-88-66)96-80(95-78)99-74-29-21-54(85)37-61(74)62-38-55(86)22-30-75(62)99/h1-43H
InChIKeyZQLQGANDZGQNKB-UHFFFAOYSA-N
MW1300.30 g/mol
LogP19.10
Rot. Bonds11

About 9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole

9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole (PubChem CID 138593219) has the molecular formula C80H43F6N13 and a molecular weight of 1300.30 g/mol. Its IUPAC name is 9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole.

Molecular Properties

Compound Name9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
PubChem CID138593219
Molecular FormulaC80H43F6N13
Molecular Weight1300.30 g/mol
Exact Mass1299.37
IUPAC Name9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1cc(-c2ccccn2)nc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-c7nc(-c8ccccn8)nc(-n8c9ccc(F)cc9c9cc(F)ccc98)n7)cc6)cn5)cc(-n5c6ccc(F)cc6c6cc(F)ccc65)n4)cc3)cn2)c1
InChIInChI=1S/C80H43F6N13/c81-50-17-25-70-57(33-50)58-34-51(82)18-26-71(58)97(70)56-39-67(63-5-1-3-31-87-63)91-68(40-56)64-23-15-48(42-89-64)44-7-11-46(12-8-44)77-92-69(41-76(93-77)98-72-27-19-52(83)35-59(72)60-36-53(84)20-28-73(60)98)65-24-16-49(43-90-65)45-9-13-47(14-10-45)78-94-79(66-6-2-4-32-88-66)96-80(95-78)99-74-29-21-54(85)37-61(74)62-38-55(86)22-30-75(62)99/h1-43H
InChIKeyZQLQGANDZGQNKB-UHFFFAOYSA-N
XLogP19.10
TPSA143.69 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001300.30
LogP ≤ 519.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole with MolForge

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Related Compounds

US11420970, Example 198
CID 156073186
US9725449, Example 264
CID 122686605
US10703755, Example 393
CID 132077006
8-Benzyl-6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 11213871
US10703755, Example 301
CID 132077000
US10703755, Example 314
CID 132077004
US10703755, Example 392
CID 132077005
US10703755, Example 303
CID 132077156
US10703755, Example 306
CID 132077159
4-(3-cyclobutyl-1-cyclohexylindol-5-yl)-N-[5-[(4-cyclohexylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 137497366
US10703755, Example 304
CID 138676797
US10703755, Example 377
CID 138676827

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole?
The IUPAC name of 9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole (CID 138593219) is 9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole.
What is the SMILES notation for 9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole?
The canonical SMILES for 9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole is Fc1ccc2c(c1)c1cc(F)ccc1n2-c1cc(-c2ccccn2)nc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-c7nc(-c8ccccn8)nc(-n8c9ccc(F)cc9c9cc(F)ccc98)n7)cc6)cn5)cc(-n5c6ccc(F)cc6c6cc(F)ccc65)n4)cc3)cn2)c1.
What is the InChIKey of 9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole?
The InChIKey is ZQLQGANDZGQNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H43F6N13/c81-50-17-25-70-57(33-50)58-34-51(82)18-26-71(58)97(70)56-39-67(63-5-1-3-31-87-63)91-68(40-56)64-23-15-48(42-89-64)44-7-11-46(12-8-44)77-92-69(41-76(93-77)98-72-27-19-52(83)35-59(72)60-36-53(84)20-28-73(60)98)65-24-16-49(43-90-65)45-9-13-47(14-10-45)78-94-79(66-6-2-4-32-88-66)96-80(95-78)99-74-29-21-54(85)37-61(74)62-38-55(86)22-30-75(62)99/h1-43H.
What are the key properties of 9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole?
9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole has a molecular weight of 1300.30 g/mol, XLogP of 19.10, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[6-[6-(3,6-difluorocarbazol-9-yl)-2-[4-[6-[4-(3,6-difluorocarbazol-9-yl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-3-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-3,6-difluorocarbazole is sourced from PubChem (CID 138593219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).