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

C130H81F6N15 — CID 138578905

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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-ylphenyl]-2,7-bis(trifluoromethyl)carbazole
SMILESCc1cc(-c2cc(-c3cccnc3)cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cncc(Cc3cccc(-c4ccc5c6ccccc6n(-c6cc(-c7cccnc7)ccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)c3)c2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C130H81F6N15/c1-79-63-92(108-68-96(95-42-26-62-138-77-95)72-118(119(108)128-147-124(86-36-16-6-17-37-86)142-125(148-128)87-38-18-7-19-39-87)151-116-73-98(129(131,132)133)52-58-104(116)105-59-53-99(74-117(105)151)130(134,135)136)50-54-100(79)93-51-60-112-109(67-93)102-44-21-23-46-111(102)149(112)114-71-91(49-57-106(114)126-143-120(82-28-8-2-9-29-82)140-121(144-126)83-30-10-3-11-31-83)97-66-81(75-139-78-97)64-80-27-24-40-88(65-80)89-47-55-103-101-43-20-22-45-110(101)150(113(103)69-89)115-70-90(94-41-25-61-137-76-94)48-56-107(115)127-145-122(84-32-12-4-13-33-84)141-123(146-127)85-34-14-5-15-35-85/h2-63,65-78H,64H2,1H3
InChIKeyNUELWRAHVLKXTB-UHFFFAOYSA-N
MW1967.17 g/mol
LogP32.66
Rot. Bonds20

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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-ylphenyl]-2,7-bis(trifluoromethyl)carbazole (PubChem CID 138578905) has the molecular formula C130H81F6N15 and a molecular weight of 1967.17 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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-ylphenyl]-2,7-bis(trifluoromethyl)carbazole
PubChem CID138578905
Molecular FormulaC130H81F6N15
Molecular Weight1967.17 g/mol
Exact Mass1965.67
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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-ylphenyl]-2,7-bis(trifluoromethyl)carbazole
SMILESCc1cc(-c2cc(-c3cccnc3)cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cncc(Cc3cccc(-c4ccc5c6ccccc6n(-c6cc(-c7cccnc7)ccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)c3)c2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C130H81F6N15/c1-79-63-92(108-68-96(95-42-26-62-138-77-95)72-118(119(108)128-147-124(86-36-16-6-17-37-86)142-125(148-128)87-38-18-7-19-39-87)151-116-73-98(129(131,132)133)52-58-104(116)105-59-53-99(74-117(105)151)130(134,135)136)50-54-100(79)93-51-60-112-109(67-93)102-44-21-23-46-111(102)149(112)114-71-91(49-57-106(114)126-143-120(82-28-8-2-9-29-82)140-121(144-126)83-30-10-3-11-31-83)97-66-81(75-139-78-97)64-80-27-24-40-88(65-80)89-47-55-103-101-43-20-22-45-110(101)150(113(103)69-89)115-70-90(94-41-25-61-137-76-94)48-56-107(115)127-145-122(84-32-12-4-13-33-84)141-123(146-127)85-34-14-5-15-35-85/h2-63,65-78H,64H2,1H3
InChIKeyNUELWRAHVLKXTB-UHFFFAOYSA-N
XLogP32.66
TPSA169.47 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001967.17
LogP ≤ 532.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-ylphenyl]-2,7-bis(trifluoromethyl)carbazole (CID 138578905) 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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-ylphenyl]-2,7-bis(trifluoromethyl)carbazole is Cc1cc(-c2cc(-c3cccnc3)cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cncc(Cc3cccc(-c4ccc5c6ccccc6n(-c6cc(-c7cccnc7)ccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)c3)c2)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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-ylphenyl]-2,7-bis(trifluoromethyl)carbazole?
The InChIKey is NUELWRAHVLKXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H81F6N15/c1-79-63-92(108-68-96(95-42-26-62-138-77-95)72-118(119(108)128-147-124(86-36-16-6-17-37-86)142-125(148-128)87-38-18-7-19-39-87)151-116-73-98(129(131,132)133)52-58-104(116)105-59-53-99(74-117(105)151)130(134,135)136)50-54-100(79)93-51-60-112-109(67-93)102-44-21-23-46-111(102)149(112)114-71-91(49-57-106(114)126-143-120(82-28-8-2-9-29-82)140-121(144-126)83-30-10-3-11-31-83)97-66-81(75-139-78-97)64-80-27-24-40-88(65-80)89-47-55-103-101-43-20-22-45-110(101)150(113(103)69-89)115-70-90(94-41-25-61-137-76-94)48-56-107(115)127-145-122(84-32-12-4-13-33-84)141-123(146-127)85-34-14-5-15-35-85/h2-63,65-78H,64H2,1H3.
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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-ylphenyl]-2,7-bis(trifluoromethyl)carbazole has a molecular weight of 1967.17 g/mol, XLogP of 32.66, 20 rotatable bonds, 0 hydrogen bond donors, and 15 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-[5-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]carbazol-2-yl]phenyl]methyl]-3-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-3-ylphenyl]-2,7-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 138578905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).