9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine

C190H93F33N14O3 — CID 157336625

About 9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine

9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine (PubChem CID 157336625) has the molecular formula C190H93F33N14O3 and a molecular weight of 3246.86 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine.

Molecular Properties

• Compound Name: 9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine
• PubChem CID: 157336625
• Molecular Formula: C190H93F33N14O3
• Molecular Weight: 3246.86 g/mol
• Exact Mass: 3244.70
• IUPAC Name: 9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine
• SMILES: Cc1cc(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)cc1-n1c2ccccc2c2ccccc21.Fc1c(F)c(F)c(-c2c(-n3c4ccccc4c4ccccc43)c(-c3c(F)c(F)c(F)c(F)c3F)c(-n3c4ccccc4c4ccccc43)c(-c3c(F)c(F)c(F)c(F)c3F)c2-n2c3ccccc3c3ccccc32)c(F)c1F.Fc1c(F)c(F)c(-c2c(N3c4ccccc4Oc4ccccc43)c(-c3c(F)c(F)c(F)c(F)c3F)c(N3c4ccccc4Oc4ccccc43)c(-c3c(F)c(F)c(F)c(F)c3F)c2N2c3ccccc3Oc3ccccc32)c(F)c1F.c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cncnc2)c(-n2c3ccccc3c3ccccc32)cc1-c1cncnc1
• InChI: InChI=1S/C60H24F15N3O3.C60H24F15N3.C38H24N6.C32H21F3N2/c61-43-37(44(62)50(68)55(73)49(43)67)40-58(76-25-13-1-7-19-31(25)79-32-20-8-2-14-26(32)76)41(38-45(63)51(69)56(74)52(70)46(38)64)60(78-29-17-5-11-23-35(29)81-36-24-12-6-18-30(36)78)42(39-47(65)53(71)57(75)54(72)48(39)66)59(40)77-27-15-3-9-21-33(27)80-34-22-10-4-16-28(34)77;61-43-37(44(62)50(68)55(73)49(43)67)40-58(76-31-19-7-1-13-25(31)26-14-2-8-20-32(26)76)41(38-45(63)51(69)56(74)52(70)46(38)64)60(78-35-23-11-5-17-29(35)30-18-6-12-24-36(30)78)42(39-47(65)53(71)57(75)54(72)48(39)66)59(40)77-33-21-9-3-15-27(33)28-16-4-10-22-34(28)77;1-5-13-33-27(9-1)28-10-2-6-14-34(28)43(33)37-17-32(26-21-41-24-42-22-26)38(18-31(37)25-19-39-23-40-20-25)44-35-15-7-3-11-29(35)30-12-4-8-16-36(30)44;1-20-18-31(37-28-16-8-4-12-23(28)24-13-5-9-17-29(24)37)25(32(33,34)35)19-30(20)36-26-14-6-2-10-21(26)22-11-3-7-15-27(22)36/h1-24H;1-24H;1-24H;2-19H,1H3
• InChIKey: BFXJYHBHWMXWOQ-UHFFFAOYSA-N
• XLogP: 55.57
• TPSA: 123.48 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3246.86
LogP ≤ 5	55.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine?

The IUPAC name of 9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine (CID 157336625) is 9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine.

What is the SMILES notation for 9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine?

The canonical SMILES for 9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine is Cc1cc(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)cc1-n1c2ccccc2c2ccccc21.Fc1c(F)c(F)c(-c2c(-n3c4ccccc4c4ccccc43)c(-c3c(F)c(F)c(F)c(F)c3F)c(-n3c4ccccc4c4ccccc43)c(-c3c(F)c(F)c(F)c(F)c3F)c2-n2c3ccccc3c3ccccc32)c(F)c1F.Fc1c(F)c(F)c(-c2c(N3c4ccccc4Oc4ccccc43)c(-c3c(F)c(F)c(F)c(F)c3F)c(N3c4ccccc4Oc4ccccc43)c(-c3c(F)c(F)c(F)c(F)c3F)c2N2c3ccccc3Oc3ccccc32)c(F)c1F.c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cncnc2)c(-n2c3ccccc3c3ccccc32)cc1-c1cncnc1.

What is the InChIKey of 9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine?

The InChIKey is BFXJYHBHWMXWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H24F15N3O3.C60H24F15N3.C38H24N6.C32H21F3N2/c61-43-37(44(62)50(68)55(73)49(43)67)40-58(76-25-13-1-7-19-31(25)79-32-20-8-2-14-26(32)76)41(38-45(63)51(69)56(74)52(70)46(38)64)60(78-29-17-5-11-23-35(29)81-36-24-12-6-18-30(36)78)42(39-47(65)53(71)57(75)54(72)48(39)66)59(40)77-27-15-3-9-21-33(27)80-34-22-10-4-16-28(34)77;61-43-37(44(62)50(68)55(73)49(43)67)40-58(76-31-19-7-1-13-25(31)26-14-2-8-20-32(26)76)41(38-45(63)51(69)56(74)52(70)46(38)64)60(78-35-23-11-5-17-29(35)30-18-6-12-24-36(30)78)42(39-47(65)53(71)57(75)54(72)48(39)66)59(40)77-33-21-9-3-15-27(33)28-16-4-10-22-34(28)77;1-5-13-33-27(9-1)28-10-2-6-14-34(28)43(33)37-17-32(26-21-41-24-42-22-26)38(18-31(37)25-19-39-23-40-20-25)44-35-15-7-3-11-29(35)30-12-4-8-16-36(30)44;1-20-18-31(37-28-16-8-4-12-23(28)24-13-5-9-17-29(24)37)25(32(33,34)35)19-30(20)36-26-14-6-2-10-21(26)22-11-3-7-15-27(22)36/h1-24H;1-24H;1-24H;2-19H,1H3.

What are the key properties of 9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine?

9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine has a molecular weight of 3246.86 g/mol, XLogP of 55.57, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine is sourced from PubChem (CID 157336625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).