3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile

C210H122F18N22 — CID 157099472

About 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile

3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile (PubChem CID 157099472) has the molecular formula C210H122F18N22 and a molecular weight of 3295.40 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile.

Molecular Properties

• Compound Name: 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
• PubChem CID: 157099472
• Molecular Formula: C210H122F18N22
• Molecular Weight: 3295.40 g/mol
• Exact Mass: 3292.99
• IUPAC Name: 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
• SMILES: Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)ccn2)cc(C(F)(F)F)c1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)ccn2)c(C(F)(F)F)c1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)ccn2)c1
• InChI: InChI=1S/C78H44N10.2C66H39F9N6/c1-82-63-23-11-22-57(39-63)61-27-32-74-68(43-61)67-42-60(56-21-10-14-51(38-56)48-81)26-31-73(67)88(74)75-33-28-62(78-85-76(52-15-4-2-5-16-52)84-77(86-78)53-17-6-3-7-18-53)44-69(75)70-45-64(34-35-83-70)87-71-29-24-58(54-19-8-12-49(36-54)46-79)40-65(71)66-41-59(25-30-72(66)87)55-20-9-13-50(37-55)47-80;1-38-20-25-46(53(32-38)65(70,71)72)41-22-28-59-51(34-41)49-17-9-11-19-57(49)81(59)60-29-23-43(63-78-61(39-12-4-2-5-13-39)77-62(79-63)40-14-6-3-7-15-40)35-52(60)55-37-45(30-31-76-55)80-56-18-10-8-16-48(56)50-33-42(21-27-58(50)80)47-26-24-44(64(67,68)69)36-54(47)66(73,74)75;1-38-28-44(30-46(29-38)64(67,68)69)41-21-24-59-53(33-41)51-17-9-11-19-57(51)81(59)60-25-22-43(63-78-61(39-12-4-2-5-13-39)77-62(79-63)40-14-6-3-7-15-40)35-54(60)55-37-49(26-27-76-55)80-56-18-10-8-16-50(56)52-34-42(20-23-58(52)80)45-31-47(65(70,71)72)36-48(32-45)66(73,74)75/h2-45H;2*2-37H,1H3
• InChIKey: AFPFGGQXCBIQPB-UHFFFAOYSA-N
• XLogP: 56.62
• TPSA: 259.99 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3295.40
LogP ≤ 5	56.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile?

The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile (CID 157099472) is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile.

What is the SMILES notation for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile?

The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile is Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)ccn2)cc(C(F)(F)F)c1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)ccn2)c(C(F)(F)F)c1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)ccn2)c1.

What is the InChIKey of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile?

The InChIKey is AFPFGGQXCBIQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H44N10.2C66H39F9N6/c1-82-63-23-11-22-57(39-63)61-27-32-74-68(43-61)67-42-60(56-21-10-14-51(38-56)48-81)26-31-73(67)88(74)75-33-28-62(78-85-76(52-15-4-2-5-16-52)84-77(86-78)53-17-6-3-7-18-53)44-69(75)70-45-64(34-35-83-70)87-71-29-24-58(54-19-8-12-49(36-54)46-79)40-65(71)66-41-59(25-30-72(66)87)55-20-9-13-50(37-55)47-80;1-38-20-25-46(53(32-38)65(70,71)72)41-22-28-59-51(34-41)49-17-9-11-19-57(49)81(59)60-29-23-43(63-78-61(39-12-4-2-5-13-39)77-62(79-63)40-14-6-3-7-15-40)35-52(60)55-37-45(30-31-76-55)80-56-18-10-8-16-48(56)50-33-42(21-27-58(50)80)47-26-24-44(64(67,68)69)36-54(47)66(73,74)75;1-38-28-44(30-46(29-38)64(67,68)69)41-21-24-59-53(33-41)51-17-9-11-19-57(51)81(59)60-25-22-43(63-78-61(39-12-4-2-5-13-39)77-62(79-63)40-14-6-3-7-15-40)35-54(60)55-37-49(26-27-76-55)80-56-18-10-8-16-50(56)52-34-42(20-23-58(52)80)45-31-47(65(70,71)72)36-48(32-45)66(73,74)75/h2-45H;2*2-37H,1H3.

What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile?

3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile has a molecular weight of 3295.40 g/mol, XLogP of 56.62, 26 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-pyridinyl]carbazole;3-[6-(3-cyanophenyl)-9-[2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile is sourced from PubChem (CID 157099472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).