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

C156H92F16N12O2S2 — CID 159440060

IUPAC9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine
SMILESCc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3ccc(C)cc3)c2-n2c3ccccc3c3ccccc32)cc1.FC(F)(F)c1cc(N2c3ccccc3Oc3ccccc32)cc(C(F)(F)F)c1N1c2ccccc2Oc2ccccc21.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3c(F)c(F)c(F)c(F)c3F)c2-n2c3ccccc3c3ccccc32)c(F)c1F.c1cnc(-c2cc(N3c4ccccc4Sc4ccccc43)c(-c3ncccn3)cc2N2c3ccccc3Sc3ccccc32)nc1
InChIInChI=1S/C44H32N2.C42H18F10N2.C38H24N6S2.C32H18F6N2O2/c1-29-19-23-31(24-20-29)38-27-33(45-40-15-7-3-11-34(40)35-12-4-8-16-41(35)45)28-39(32-25-21-30(2)22-26-32)44(38)46-42-17-9-5-13-36(42)37-14-6-10-18-43(37)46;43-32-30(33(44)37(48)40(51)36(32)47)24-17-19(53-26-13-5-1-9-20(26)21-10-2-6-14-27(21)53)18-25(31-34(45)38(49)41(52)39(50)35(31)46)42(24)54-28-15-7-3-11-22(28)23-12-4-8-16-29(23)54;1-5-15-33-27(11-1)43(28-12-2-6-16-34(28)45-33)31-23-26(38-41-21-10-22-42-38)32(24-25(31)37-39-19-9-20-40-37)44-29-13-3-7-17-35(29)46-36-18-8-4-14-30(36)44;33-31(34,35)20-17-19(39-22-9-1-5-13-26(22)41-27-14-6-2-10-23(27)39)18-21(32(36,37)38)30(20)40-24-11-3-7-15-28(24)42-29-16-8-4-12-25(29)40/h3-28H,1-2H3;1-18H;1-24H;1-18H
InChIKeyLSBBBPFOGLQHGH-UHFFFAOYSA-N
MW2534.64 g/mol
LogP45.78
Rot. Bonds14

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

9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine (PubChem CID 159440060) has the molecular formula C156H92F16N12O2S2 and a molecular weight of 2534.64 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine
PubChem CID159440060
Molecular FormulaC156H92F16N12O2S2
Molecular Weight2534.64 g/mol
Exact Mass2532.67
IUPAC Name9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine
SMILESCc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3ccc(C)cc3)c2-n2c3ccccc3c3ccccc32)cc1.FC(F)(F)c1cc(N2c3ccccc3Oc3ccccc32)cc(C(F)(F)F)c1N1c2ccccc2Oc2ccccc21.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3c(F)c(F)c(F)c(F)c3F)c2-n2c3ccccc3c3ccccc32)c(F)c1F.c1cnc(-c2cc(N3c4ccccc4Sc4ccccc43)c(-c3ncccn3)cc2N2c3ccccc3Sc3ccccc32)nc1
InChIInChI=1S/C44H32N2.C42H18F10N2.C38H24N6S2.C32H18F6N2O2/c1-29-19-23-31(24-20-29)38-27-33(45-40-15-7-3-11-34(40)35-12-4-8-16-41(35)45)28-39(32-25-21-30(2)22-26-32)44(38)46-42-17-9-5-13-36(42)37-14-6-10-18-43(37)46;43-32-30(33(44)37(48)40(51)36(32)47)24-17-19(53-26-13-5-1-9-20(26)21-10-2-6-14-27(21)53)18-25(31-34(45)38(49)41(52)39(50)35(31)46)42(24)54-28-15-7-3-11-22(28)23-12-4-8-16-29(23)54;1-5-15-33-27(11-1)43(28-12-2-6-16-34(28)45-33)31-23-26(38-41-21-10-22-42-38)32(24-25(31)37-39-19-9-20-40-37)44-29-13-3-7-17-35(29)46-36-18-8-4-14-30(36)44;33-31(34,35)20-17-19(39-22-9-1-5-13-26(22)41-27-14-6-2-10-23(27)39)18-21(32(36,37)38)30(20)40-24-11-3-7-15-28(24)42-29-16-8-4-12-25(29)40/h3-28H,1-2H3;1-18H;1-24H;1-18H
InChIKeyLSBBBPFOGLQHGH-UHFFFAOYSA-N
XLogP45.78
TPSA102.70 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002534.64
LogP ≤ 545.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine with MolForge

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Related Compounds

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
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
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
10-[6,8-Bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine
CID 129290710
10-[4-Phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290711
10-[6,8-Bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-4-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine
CID 129290712
10-[4-Phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290713
10-[4-Phenothiazin-10-yl-6,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine
CID 129290714
10-[4-Phenothiazin-10-yl-6,8-bis(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]phenoxazine
CID 129290717
10-[3-Phenothiazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290720
10-[5,7-Bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenothiazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290721
10-[5,7-Bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-3-phenothiazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290722

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine?
The IUPAC name of 9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine (CID 159440060) is 9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine.
What is the SMILES notation for 9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine?
The canonical SMILES for 9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine is Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3ccc(C)cc3)c2-n2c3ccccc3c3ccccc32)cc1.FC(F)(F)c1cc(N2c3ccccc3Oc3ccccc32)cc(C(F)(F)F)c1N1c2ccccc2Oc2ccccc21.Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3c(F)c(F)c(F)c(F)c3F)c2-n2c3ccccc3c3ccccc32)c(F)c1F.c1cnc(-c2cc(N3c4ccccc4Sc4ccccc43)c(-c3ncccn3)cc2N2c3ccccc3Sc3ccccc32)nc1.
What is the InChIKey of 9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine?
The InChIKey is LSBBBPFOGLQHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2.C42H18F10N2.C38H24N6S2.C32H18F6N2O2/c1-29-19-23-31(24-20-29)38-27-33(45-40-15-7-3-11-34(40)35-12-4-8-16-41(35)45)28-39(32-25-21-30(2)22-26-32)44(38)46-42-17-9-5-13-36(42)37-14-6-10-18-43(37)46;43-32-30(33(44)37(48)40(51)36(32)47)24-17-19(53-26-13-5-1-9-20(26)21-10-2-6-14-27(21)53)18-25(31-34(45)38(49)41(52)39(50)35(31)46)42(24)54-28-15-7-3-11-22(28)23-12-4-8-16-29(23)54;1-5-15-33-27(11-1)43(28-12-2-6-16-34(28)45-33)31-23-26(38-41-21-10-22-42-38)32(24-25(31)37-39-19-9-20-40-37)44-29-13-3-7-17-35(29)46-36-18-8-4-14-30(36)44;33-31(34,35)20-17-19(39-22-9-1-5-13-26(22)41-27-14-6-2-10-23(27)39)18-21(32(36,37)38)30(20)40-24-11-3-7-15-28(24)42-29-16-8-4-12-25(29)40/h3-28H,1-2H3;1-18H;1-24H;1-18H.
What are the key properties of 9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine?
9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine has a molecular weight of 2534.64 g/mol, XLogP of 45.78, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine is sourced from PubChem (CID 159440060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).