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

C130H81F6N15 — CID 138578841

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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-ylphenyl]-2,7-bis(trifluoromethyl)carbazole
SMILESCc1cc(-c2cc(-c3ccccn3)cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(Cc3cccc(-c4ccc5c6ccccc6n(-c6cc(-c7ccccn7)ccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)c3)ccn2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C130H81F6N15/c1-79-67-90(105-72-94(108-46-25-27-65-138-108)76-118(119(105)128-147-124(86-38-16-6-17-39-86)142-125(148-128)87-40-18-7-19-41-87)151-116-77-95(129(131,132)133)54-60-101(116)102-61-55-96(78-117(102)151)130(134,135)136)50-56-97(79)91-53-62-112-106(71-91)99-44-21-23-48-111(99)149(112)114-75-93(52-59-103(114)126-143-120(82-30-8-2-9-31-82)140-121(144-126)83-32-10-3-11-33-83)109-70-81(63-66-139-109)68-80-29-28-42-88(69-80)89-49-57-100-98-43-20-22-47-110(98)150(113(100)73-89)115-74-92(107-45-24-26-64-137-107)51-58-104(115)127-145-122(84-34-12-4-13-35-84)141-123(146-127)85-36-14-5-15-37-85/h2-67,69-78H,68H2,1H3
InChIKeyFSDUEFYGMGRCDF-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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-ylphenyl]-2,7-bis(trifluoromethyl)carbazole (PubChem CID 138578841) 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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-ylphenyl]-2,7-bis(trifluoromethyl)carbazole
PubChem CID138578841
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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-ylphenyl]-2,7-bis(trifluoromethyl)carbazole
SMILESCc1cc(-c2cc(-c3ccccn3)cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(Cc3cccc(-c4ccc5c6ccccc6n(-c6cc(-c7ccccn7)ccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)c3)ccn2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C130H81F6N15/c1-79-67-90(105-72-94(108-46-25-27-65-138-108)76-118(119(105)128-147-124(86-38-16-6-17-39-86)142-125(148-128)87-40-18-7-19-41-87)151-116-77-95(129(131,132)133)54-60-101(116)102-61-55-96(78-117(102)151)130(134,135)136)50-56-97(79)91-53-62-112-106(71-91)99-44-21-23-48-111(99)149(112)114-75-93(52-59-103(114)126-143-120(82-30-8-2-9-31-82)140-121(144-126)83-32-10-3-11-33-83)109-70-81(63-66-139-109)68-80-29-28-42-88(69-80)89-49-57-100-98-43-20-22-47-110(98)150(113(100)73-89)115-74-92(107-45-24-26-64-137-107)51-58-104(115)127-145-122(84-34-12-4-13-35-84)141-123(146-127)85-36-14-5-15-37-85/h2-67,69-78H,68H2,1H3
InChIKeyFSDUEFYGMGRCDF-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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-ylphenyl]-2,7-bis(trifluoromethyl)carbazole (CID 138578841) 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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-ylphenyl]-2,7-bis(trifluoromethyl)carbazole is Cc1cc(-c2cc(-c3ccccn3)cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(Cc3cccc(-c4ccc5c6ccccc6n(-c6cc(-c7ccccn7)ccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)c3)ccn2)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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-ylphenyl]-2,7-bis(trifluoromethyl)carbazole?
The InChIKey is FSDUEFYGMGRCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H81F6N15/c1-79-67-90(105-72-94(108-46-25-27-65-138-108)76-118(119(105)128-147-124(86-38-16-6-17-39-86)142-125(148-128)87-40-18-7-19-41-87)151-116-77-95(129(131,132)133)54-60-101(116)102-61-55-96(78-117(102)151)130(134,135)136)50-56-97(79)91-53-62-112-106(71-91)99-44-21-23-48-111(99)149(112)114-75-93(52-59-103(114)126-143-120(82-30-8-2-9-31-82)140-121(144-126)83-32-10-3-11-33-83)109-70-81(63-66-139-109)68-80-29-28-42-88(69-80)89-49-57-100-98-43-20-22-47-110(98)150(113(100)73-89)115-74-92(107-45-24-26-64-137-107)51-58-104(115)127-145-122(84-34-12-4-13-35-84)141-123(146-127)85-36-14-5-15-37-85/h2-67,69-78H,68H2,1H3.
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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-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-[4-[[3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]phenyl]methyl]-2-pyridinyl]phenyl]carbazol-3-yl]-3-methylphenyl]-5-pyridin-2-ylphenyl]-2,7-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 138578841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).