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-4-ylphenyl]carbazole

C72H40F12N6 — CID 142597594

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-4-ylphenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccncc3)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)47-22-25-51(59(38-47)71(79,80)81)44-19-28-63-56(35-44)53-15-7-9-17-61(53)89(63)49-24-27-50(41-31-33-85-34-32-41)55(40-49)58-37-46(68-87-66(42-11-3-1-4-12-42)86-67(88-68)43-13-5-2-6-14-43)21-30-65(58)90-62-18-10-8-16-54(62)57-36-45(20-29-64(57)90)52-26-23-48(70(76,77)78)39-60(52)72(82,83)84/h1-40H
InChIKeyYMMSIUNFNIZRHU-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-4-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-4-ylphenyl]carbazole (PubChem CID 142597594) 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-4-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-4-ylphenyl]carbazole
PubChem CID142597594
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-4-ylphenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccncc3)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)47-22-25-51(59(38-47)71(79,80)81)44-19-28-63-56(35-44)53-15-7-9-17-61(53)89(63)49-24-27-50(41-31-33-85-34-32-41)55(40-49)58-37-46(68-87-66(42-11-3-1-4-12-42)86-67(88-68)43-13-5-2-6-14-43)21-30-65(58)90-62-18-10-8-16-54(62)57-36-45(20-29-64(57)90)52-26-23-48(70(76,77)78)39-60(52)72(82,83)84/h1-40H
InChIKeyYMMSIUNFNIZRHU-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-4-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-4-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-4-ylphenyl]carbazole (CID 142597594) 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-4-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-4-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-4-ylphenyl]carbazole is FC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccncc3)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-4-ylphenyl]carbazole?
The InChIKey is YMMSIUNFNIZRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H40F12N6/c73-69(74,75)47-22-25-51(59(38-47)71(79,80)81)44-19-28-63-56(35-44)53-15-7-9-17-61(53)89(63)49-24-27-50(41-31-33-85-34-32-41)55(40-49)58-37-46(68-87-66(42-11-3-1-4-12-42)86-67(88-68)43-13-5-2-6-14-43)21-30-65(58)90-62-18-10-8-16-54(62)57-36-45(20-29-64(57)90)52-26-23-48(70(76,77)78)39-60(52)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-4-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-4-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-4-ylphenyl]carbazole is sourced from PubChem (CID 142597594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).