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

C72H40F12N6 — CID 142597627

IUPAC3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccn3)c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)c2)c(C(F)(F)F)c1
InChIInChI=1S/C72H40F12N6/c73-69(74,75)46-25-28-49(58(38-46)71(79,80)81)43-22-31-63-55(35-43)52-17-7-9-20-61(52)89(63)48-27-30-51(60-19-11-12-34-85-60)54(40-48)57-37-45(68-87-66(41-13-3-1-4-14-41)86-67(88-68)42-15-5-2-6-16-42)24-33-65(57)90-62-21-10-8-18-53(62)56-36-44(23-32-64(56)90)50-29-26-47(70(76,77)78)39-59(50)72(82,83)84/h1-40H
InChIKeyVYOHXSPBSYPPKI-UHFFFAOYSA-N
MW1217.13 g/mol
LogP21.20
Rot. Bonds9

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

3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole (PubChem CID 142597627) has the molecular formula C72H40F12N6 and a molecular weight of 1217.13 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole.

Molecular Properties

Compound Name3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole
PubChem CID142597627
Molecular FormulaC72H40F12N6
Molecular Weight1217.13 g/mol
Exact Mass1216.31
IUPAC Name3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccn3)c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)c2)c(C(F)(F)F)c1
InChIInChI=1S/C72H40F12N6/c73-69(74,75)46-25-28-49(58(38-46)71(79,80)81)43-22-31-63-55(35-43)52-17-7-9-20-61(52)89(63)48-27-30-51(60-19-11-12-34-85-60)54(40-48)57-37-45(68-87-66(41-13-3-1-4-14-41)86-67(88-68)42-15-5-2-6-16-42)24-33-65(57)90-62-21-10-8-18-53(62)56-36-44(23-32-64(56)90)50-29-26-47(70(76,77)78)39-59(50)72(82,83)84/h1-40H
InChIKeyVYOHXSPBSYPPKI-UHFFFAOYSA-N
XLogP21.20
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001217.13
LogP ≤ 521.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole?
The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole (CID 142597627) is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole.
What is the SMILES notation for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole?
The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole is FC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccn3)c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)c2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole?
The InChIKey is VYOHXSPBSYPPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H40F12N6/c73-69(74,75)46-25-28-49(58(38-46)71(79,80)81)43-22-31-63-55(35-43)52-17-7-9-20-61(52)89(63)48-27-30-51(60-19-11-12-34-85-60)54(40-48)57-37-45(68-87-66(41-13-3-1-4-14-41)86-67(88-68)42-15-5-2-6-16-42)24-33-65(57)90-62-21-10-8-18-53(62)56-36-44(23-32-64(56)90)50-29-26-47(70(76,77)78)39-59(50)72(82,83)84/h1-40H.
What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole?
3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole has a molecular weight of 1217.13 g/mol, XLogP of 21.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridin-2-ylphenyl]carbazole is sourced from PubChem (CID 142597627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).