9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole

C85H52F6N10 — CID 138578567

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole
SMILESCc1cc(-c2cc(-c3ccncc3)cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccncc2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C85H52F6N10/c1-51-44-59(27-31-64(51)60-28-35-72-70(45-60)65-24-14-15-25-71(65)100(72)73-47-58(52-36-40-92-41-37-52)26-32-68(73)82-96-78(54-16-6-2-7-17-54)94-79(97-82)55-18-8-3-9-19-55)69-46-61(53-38-42-93-43-39-53)48-76(77(69)83-98-80(56-20-10-4-11-21-56)95-81(99-83)57-22-12-5-13-23-57)101-74-49-62(84(86,87)88)29-33-66(74)67-34-30-63(50-75(67)101)85(89,90)91/h2-50H,1H3
InChIKeyJLOUMZKKDSGWPH-UHFFFAOYSA-N
MW1327.41 g/mol
LogP22.06
Rot. Bonds12

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole (PubChem CID 138578567) has the molecular formula C85H52F6N10 and a molecular weight of 1327.41 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole
PubChem CID138578567
Molecular FormulaC85H52F6N10
Molecular Weight1327.41 g/mol
Exact Mass1326.43
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole
SMILESCc1cc(-c2cc(-c3ccncc3)cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccncc2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C85H52F6N10/c1-51-44-59(27-31-64(51)60-28-35-72-70(45-60)65-24-14-15-25-71(65)100(72)73-47-58(52-36-40-92-41-37-52)26-32-68(73)82-96-78(54-16-6-2-7-17-54)94-79(97-82)55-18-8-3-9-19-55)69-46-61(53-38-42-93-43-39-53)48-76(77(69)83-98-80(56-20-10-4-11-21-56)95-81(99-83)57-22-12-5-13-23-57)101-74-49-62(84(86,87)88)29-33-66(74)67-34-30-63(50-75(67)101)85(89,90)91/h2-50H,1H3
InChIKeyJLOUMZKKDSGWPH-UHFFFAOYSA-N
XLogP22.06
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001327.41
LogP ≤ 522.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole (CID 138578567) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole is Cc1cc(-c2cc(-c3ccncc3)cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccncc2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole?
The InChIKey is JLOUMZKKDSGWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H52F6N10/c1-51-44-59(27-31-64(51)60-28-35-72-70(45-60)65-24-14-15-25-71(65)100(72)73-47-58(52-36-40-92-41-37-52)26-32-68(73)82-96-78(54-16-6-2-7-17-54)94-79(97-82)55-18-8-3-9-19-55)69-46-61(53-38-42-93-43-39-53)48-76(77(69)83-98-80(56-20-10-4-11-21-56)95-81(99-83)57-22-12-5-13-23-57)101-74-49-62(84(86,87)88)29-33-66(74)67-34-30-63(50-75(67)101)85(89,90)91/h2-50H,1H3.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole has a molecular weight of 1327.41 g/mol, XLogP of 22.06, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-4-ylphenyl]-2,7-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 138578567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).