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

C107H66F6N12 — CID 137414504

IUPAC9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESCc1cc(-c2c(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)nc2-c2ccccc2)ccc1-c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C107H66F6N12/c1-65-58-75(47-52-80(65)74-46-53-82-81-44-26-27-45-89(81)125(94(82)61-74)93-55-49-76(102-120-98(70-36-18-6-19-37-70)118-99(121-102)71-38-20-7-21-39-71)59-85(93)104-114-87(66-28-10-2-11-29-66)64-88(115-104)67-30-12-3-13-31-67)95-96(68-32-14-4-15-33-68)116-105(117-97(95)69-34-16-5-17-35-69)86-60-77(103-122-100(72-40-22-8-23-41-72)119-101(123-103)73-42-24-9-25-43-73)48-54-92(86)124-90-56-50-78(106(108,109)110)62-83(90)84-63-79(107(111,112)113)51-57-91(84)124/h2-64H,1H3
InChIKeyNKYQCCMNNNERGL-UHFFFAOYSA-N
MW1633.78 g/mol
LogP27.51
Rot. Bonds16

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

9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 137414504) has the molecular formula C107H66F6N12 and a molecular weight of 1633.78 g/mol. Its IUPAC name is 9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID137414504
Molecular FormulaC107H66F6N12
Molecular Weight1633.78 g/mol
Exact Mass1632.54
IUPAC Name9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESCc1cc(-c2c(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)nc2-c2ccccc2)ccc1-c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C107H66F6N12/c1-65-58-75(47-52-80(65)74-46-53-82-81-44-26-27-45-89(81)125(94(82)61-74)93-55-49-76(102-120-98(70-36-18-6-19-37-70)118-99(121-102)71-38-20-7-21-39-71)59-85(93)104-114-87(66-28-10-2-11-29-66)64-88(115-104)67-30-12-3-13-31-67)95-96(68-32-14-4-15-33-68)116-105(117-97(95)69-34-16-5-17-35-69)86-60-77(103-122-100(72-40-22-8-23-41-72)119-101(123-103)73-42-24-9-25-43-73)48-54-92(86)124-90-56-50-78(106(108,109)110)62-83(90)84-63-79(107(111,112)113)51-57-91(84)124/h2-64H,1H3
InChIKeyNKYQCCMNNNERGL-UHFFFAOYSA-N
XLogP27.51
TPSA138.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001633.78
LogP ≤ 527.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 137414504) is 9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is Cc1cc(-c2c(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)nc2-c2ccccc2)ccc1-c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is NKYQCCMNNNERGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H66F6N12/c1-65-58-75(47-52-80(65)74-46-53-82-81-44-26-27-45-89(81)125(94(82)61-74)93-55-49-76(102-120-98(70-36-18-6-19-37-70)118-99(121-102)71-38-20-7-21-39-71)59-85(93)104-114-87(66-28-10-2-11-29-66)64-88(115-104)67-30-12-3-13-31-67)95-96(68-32-14-4-15-33-68)116-105(117-97(95)69-34-16-5-17-35-69)86-60-77(103-122-100(72-40-22-8-23-41-72)119-101(123-103)73-42-24-9-25-43-73)48-54-92(86)124-90-56-50-78(106(108,109)110)62-83(90)84-63-79(107(111,112)113)51-57-91(84)124/h2-64H,1H3.
What are the key properties of 9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 1633.78 g/mol, XLogP of 27.51, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[5-[4-[9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 137414504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).