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

C91H53F6N15 — CID 146394085

IUPAC9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESFC(F)(F)c1cc(-c2cc(-n3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)ncc2-n2c3cc(-c4ncnc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc(C(F)(F)F)c1
InChIInChI=1S/C91H53F6N15/c92-90(93,94)66-44-65(45-67(50-66)91(95,96)97)72-51-78(98-52-77(72)111-73-46-61(80-100-53-99-79(101-80)54-22-8-1-9-23-54)36-40-68(73)69-41-37-62(47-74(69)111)87-105-81(55-24-10-2-11-25-55)102-82(106-87)56-26-12-3-13-27-56)112-75-48-63(88-107-83(57-28-14-4-15-29-57)103-84(108-88)58-30-16-5-17-31-58)38-42-70(75)71-43-39-64(49-76(71)112)89-109-85(59-32-18-6-19-33-59)104-86(110-89)60-34-20-7-21-35-60/h1-53H
InChIKeyVFXOAANPJCQDSI-UHFFFAOYSA-N
MW1470.52 g/mol
LogP22.06
Rot. Bonds14

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

9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 146394085) has the molecular formula C91H53F6N15 and a molecular weight of 1470.52 g/mol. Its IUPAC name is 9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID146394085
Molecular FormulaC91H53F6N15
Molecular Weight1470.52 g/mol
Exact Mass1469.45
IUPAC Name9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESFC(F)(F)c1cc(-c2cc(-n3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)ncc2-n2c3cc(-c4ncnc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc(C(F)(F)F)c1
InChIInChI=1S/C91H53F6N15/c92-90(93,94)66-44-65(45-67(50-66)91(95,96)97)72-51-78(98-52-77(72)111-73-46-61(80-100-53-99-79(101-80)54-22-8-1-9-23-54)36-40-68(73)69-41-37-62(47-74(69)111)87-105-81(55-24-10-2-11-25-55)102-82(106-87)56-26-12-3-13-27-56)112-75-48-63(88-107-83(57-28-14-4-15-29-57)103-84(108-88)58-30-16-5-17-31-58)38-42-70(75)71-43-39-64(49-76(71)112)89-109-85(59-32-18-6-19-33-59)104-86(110-89)60-34-20-7-21-35-60/h1-53H
InChIKeyVFXOAANPJCQDSI-UHFFFAOYSA-N
XLogP22.06
TPSA177.43 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001470.52
LogP ≤ 522.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

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Frequently Asked Questions

What is the IUPAC name of 9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole (CID 146394085) is 9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole is FC(F)(F)c1cc(-c2cc(-n3c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)ncc2-n2c3cc(-c4ncnc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is VFXOAANPJCQDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H53F6N15/c92-90(93,94)66-44-65(45-67(50-66)91(95,96)97)72-51-78(98-52-77(72)111-73-46-61(80-100-53-99-79(101-80)54-22-8-1-9-23-54)36-40-68(73)69-41-37-62(47-74(69)111)87-105-81(55-24-10-2-11-25-55)102-82(106-87)56-26-12-3-13-27-56)112-75-48-63(88-107-83(57-28-14-4-15-29-57)103-84(108-88)58-30-16-5-17-31-58)38-42-70(75)71-43-39-64(49-76(71)112)89-109-85(59-32-18-6-19-33-59)104-86(110-89)60-34-20-7-21-35-60/h1-53H.
What are the key properties of 9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole?
9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 1470.52 g/mol, XLogP of 22.06, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 146394085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).