9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile

C239H140F6N28O6 — CID 162163987

About 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile

9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile (PubChem CID 162163987) has the molecular formula C239H140F6N28O6 and a molecular weight of 3613.93 g/mol. Its IUPAC name is 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile.

Molecular Properties

• Compound Name: 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile
• PubChem CID: 162163987
• Molecular Formula: C239H140F6N28O6
• Molecular Weight: 3613.93 g/mol
• Exact Mass: 3611.14
• IUPAC Name: 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile
• SMILES: Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-c3ccc(C(F)(F)F)cc3)c(-n3c4ccccc4c4ccccc43)c(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cc([N+]#[C-])cc(-c2c(-n3c4ccccc4c4ccccc43)c(-c3cc(C#N)cc(C#N)c3)c(-n3c4ccccc4c4ccccc43)c(-c3cc(C#N)nc(C#N)c3)c2-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2c(N3c4ccccc4Oc4ccccc43)c(-c3ccccn3)c(N3c4ccccc4Oc4ccccc43)c(-c3ccccn3)c2N2c3ccccc3Oc3ccccc32)nc1.c1cnc(-c2c(N3c4ccccc4Oc4ccccc43)c(-c3ncccn3)c(N3c4ccccc4Oc4ccccc43)c(-c3ncccn3)c2N2c3ccccc3Oc3ccccc32)nc1
• InChI: InChI=1S/C65H32N10.C63H39F6N3.C57H36N6O3.C54H33N9O3/c1-70-44-30-42(31-45(34-44)71-2)61-63(73-54-21-9-3-15-48(54)49-16-4-10-22-55(49)73)60(41-28-39(35-66)27-40(29-41)36-67)64(74-56-23-11-5-17-50(56)51-18-6-12-24-57(51)74)62(43-32-46(37-68)72-47(33-43)38-69)65(61)75-58-25-13-7-19-52(58)53-20-8-14-26-59(53)75;1-38-26-28-39(29-27-38)56-59(70-50-20-8-2-14-44(50)45-15-3-9-21-51(45)70)57(40-30-34-42(35-31-40)62(64,65)66)61(72-54-24-12-6-18-48(54)49-19-7-13-25-55(49)72)58(41-32-36-43(37-33-41)63(67,68)69)60(56)71-52-22-10-4-16-46(52)47-17-5-11-23-53(47)71;1-7-28-46-40(22-1)61(41-23-2-8-29-47(41)64-46)55-52(37-19-13-16-34-58-37)56(62-42-24-3-9-30-48(42)65-49-31-10-4-25-43(49)62)54(39-21-15-18-36-60-39)57(53(55)38-20-14-17-35-59-38)63-44-26-5-11-32-50(44)66-51-33-12-6-27-45(51)63;1-7-22-40-34(16-1)61(35-17-2-8-23-41(35)64-40)49-46(52-55-28-13-29-56-52)50(62-36-18-3-9-24-42(36)65-43-25-10-4-19-37(43)62)48(54-59-32-15-33-60-54)51(47(49)53-57-30-14-31-58-53)63-38-20-5-11-26-44(38)66-45-27-12-6-21-39(45)63/h3-34H;2-37H,1H3;1-36H;1-33H
• InChIKey: ZMWLBOGYKSWWLS-UHFFFAOYSA-N
• XLogP: 63.67
• TPSA: 337.18 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 279
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3613.93
LogP ≤ 5	63.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile?

The IUPAC name of 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile (CID 162163987) is 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile.

What is the SMILES notation for 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile?

The canonical SMILES for 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile is Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-c3ccc(C(F)(F)F)cc3)c(-n3c4ccccc4c4ccccc43)c(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cc([N+]#[C-])cc(-c2c(-n3c4ccccc4c4ccccc43)c(-c3cc(C#N)cc(C#N)c3)c(-n3c4ccccc4c4ccccc43)c(-c3cc(C#N)nc(C#N)c3)c2-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2c(N3c4ccccc4Oc4ccccc43)c(-c3ccccn3)c(N3c4ccccc4Oc4ccccc43)c(-c3ccccn3)c2N2c3ccccc3Oc3ccccc32)nc1.c1cnc(-c2c(N3c4ccccc4Oc4ccccc43)c(-c3ncccn3)c(N3c4ccccc4Oc4ccccc43)c(-c3ncccn3)c2N2c3ccccc3Oc3ccccc32)nc1.

What is the InChIKey of 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile?

The InChIKey is ZMWLBOGYKSWWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H32N10.C63H39F6N3.C57H36N6O3.C54H33N9O3/c1-70-44-30-42(31-45(34-44)71-2)61-63(73-54-21-9-3-15-48(54)49-16-4-10-22-55(49)73)60(41-28-39(35-66)27-40(29-41)36-67)64(74-56-23-11-5-17-50(56)51-18-6-12-24-57(51)74)62(43-32-46(37-68)72-47(33-43)38-69)65(61)75-58-25-13-7-19-52(58)53-20-8-14-26-59(53)75;1-38-26-28-39(29-27-38)56-59(70-50-20-8-2-14-44(50)45-15-3-9-21-51(45)70)57(40-30-34-42(35-31-40)62(64,65)66)61(72-54-24-12-6-18-48(54)49-19-7-13-25-55(49)72)58(41-32-36-43(37-33-41)63(67,68)69)60(56)71-52-22-10-4-16-46(52)47-17-5-11-23-53(47)71;1-7-28-46-40(22-1)61(41-23-2-8-29-47(41)64-46)55-52(37-19-13-16-34-58-37)56(62-42-24-3-9-30-48(42)65-49-31-10-4-25-43(49)62)54(39-21-15-18-36-60-39)57(53(55)38-20-14-17-35-59-38)63-44-26-5-11-32-50(44)66-51-33-12-6-27-45(51)63;1-7-22-40-34(16-1)61(35-17-2-8-23-41(35)64-40)49-46(52-55-28-13-29-56-52)50(62-36-18-3-9-24-42(36)65-43-25-10-4-19-37(43)62)48(54-59-32-15-33-60-54)51(47(49)53-57-30-14-31-58-53)63-38-20-5-11-26-44(38)66-45-27-12-6-21-39(45)63/h3-34H;2-37H,1H3;1-36H;1-33H.

What are the key properties of 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile?

9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile has a molecular weight of 3613.93 g/mol, XLogP of 63.67, 24 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile is sourced from PubChem (CID 162163987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).