10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile

C174H104F6N18O2 — CID 158341768

About 10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile

10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile (PubChem CID 158341768) has the molecular formula C174H104F6N18O2 and a molecular weight of 2592.86 g/mol. Its IUPAC name is 10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile.

Molecular Properties

• Compound Name: 10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile
• PubChem CID: 158341768
• Molecular Formula: C174H104F6N18O2
• Molecular Weight: 2592.86 g/mol
• Exact Mass: 2590.85
• IUPAC Name: 10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile
• SMILES: Cc1cc(-c2cc(N3c4ccccc4Oc4ccccc43)c(-c3cc(C)cc(C(F)(F)F)c3)cc2N2c3ccccc3Oc3ccccc32)cc(C(F)(F)F)c1.[C-]#[N+]c1cc(C#N)cc(-c2c(-n3c4ccccc4c4ccccc43)ccc(-n3c4ccccc4c4ccccc43)c2-c2cc(C#N)cc(C#N)c2)c1.[C-]#[N+]c1ccc(-c2c(-n3c4ccccc4c4ccccc43)ccc(-n3c4ccccc4c4ccccc43)c2-c2ccc(C#N)cc2)cc1.c1cnc(-c2c(-n3c4ccccc4c4ccccc43)ccc(-n3c4ccccc4c4ccccc43)c2-c2ncccn2)nc1
• InChI: InChI=1S/C46H30F6N2O2.C46H24N6.C44H26N4.C38H24N6/c1-27-19-29(23-31(21-27)45(47,48)49)33-25-40(54-37-13-5-9-17-43(37)56-44-18-10-6-14-38(44)54)34(30-20-28(2)22-32(24-30)46(50,51)52)26-39(33)53-35-11-3-7-15-41(35)55-42-16-8-4-12-36(42)53;1-50-34-24-31(28-49)23-33(25-34)46-44(52-41-16-8-4-12-37(41)38-13-5-9-17-42(38)52)19-18-43(45(46)32-21-29(26-47)20-30(22-32)27-48)51-39-14-6-2-10-35(39)36-11-3-7-15-40(36)51;1-46-32-24-22-31(23-25-32)44-42(48-39-16-8-4-12-35(39)36-13-5-9-17-40(36)48)27-26-41(43(44)30-20-18-29(28-45)19-21-30)47-37-14-6-2-10-33(37)34-11-3-7-15-38(34)47;1-5-15-29-25(11-1)26-12-2-6-16-30(26)43(29)33-19-20-34(44-31-17-7-3-13-27(31)28-14-4-8-18-32(28)44)36(38-41-23-10-24-42-38)35(33)37-39-21-9-22-40-37/h3-26H,1-2H3;2-25H;2-27H;1-24H
• InChIKey: GRGDHCXBYLADKT-UHFFFAOYSA-N
• XLogP: 46.64
• TPSA: 209.96 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2592.86
LogP ≤ 5	46.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile?

The IUPAC name of 10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile (CID 158341768) is 10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile.

What is the SMILES notation for 10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile?

The canonical SMILES for 10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile is Cc1cc(-c2cc(N3c4ccccc4Oc4ccccc43)c(-c3cc(C)cc(C(F)(F)F)c3)cc2N2c3ccccc3Oc3ccccc32)cc(C(F)(F)F)c1.[C-]#[N+]c1cc(C#N)cc(-c2c(-n3c4ccccc4c4ccccc43)ccc(-n3c4ccccc4c4ccccc43)c2-c2cc(C#N)cc(C#N)c2)c1.[C-]#[N+]c1ccc(-c2c(-n3c4ccccc4c4ccccc43)ccc(-n3c4ccccc4c4ccccc43)c2-c2ccc(C#N)cc2)cc1.c1cnc(-c2c(-n3c4ccccc4c4ccccc43)ccc(-n3c4ccccc4c4ccccc43)c2-c2ncccn2)nc1.

What is the InChIKey of 10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile?

The InChIKey is GRGDHCXBYLADKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30F6N2O2.C46H24N6.C44H26N4.C38H24N6/c1-27-19-29(23-31(21-27)45(47,48)49)33-25-40(54-37-13-5-9-17-43(37)56-44-18-10-6-14-38(44)54)34(30-20-28(2)22-32(24-30)46(50,51)52)26-39(33)53-35-11-3-7-15-41(35)55-42-16-8-4-12-36(42)53;1-50-34-24-31(28-49)23-33(25-34)46-44(52-41-16-8-4-12-37(41)38-13-5-9-17-42(38)52)19-18-43(45(46)32-21-29(26-47)20-30(22-32)27-48)51-39-14-6-2-10-35(39)36-11-3-7-15-40(36)51;1-46-32-24-22-31(23-25-32)44-42(48-39-16-8-4-12-35(39)36-13-5-9-17-40(36)48)27-26-41(43(44)30-20-18-29(28-45)19-21-30)47-37-14-6-2-10-33(37)34-11-3-7-15-38(34)47;1-5-15-29-25(11-1)26-12-2-6-16-30(26)43(29)33-19-20-34(44-31-17-7-3-13-27(31)28-14-4-8-18-32(28)44)36(38-41-23-10-24-42-38)35(33)37-39-21-9-22-40-37/h3-26H,1-2H3;2-25H;2-27H;1-24H.

What are the key properties of 10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile?

10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile has a molecular weight of 2592.86 g/mol, XLogP of 46.64, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 158341768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).