9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole

C144H103F9N6O6 — CID 159947663

IUPAC9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESCOc1ccc2c3ccc(OC)cc3n(-c3ccc(C)c(-c4cc(-n5c6cc(OC)ccc6c6ccc(OC)cc65)ccc4C(F)(F)F)c3)c2c1.COc1ccc2c3ccccc3n(-c3ccc(C)c(-c4cc(-n5c6ccccc6c6ccc(OC)cc65)ccc4C(F)(F)F)c3)c2c1.Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)ccc1C(F)(F)F
InChIInChI=1S/C62H41F3N2.C42H33F3N2O4.C40H29F3N2O2/c1-40-22-27-49(66-58-30-23-45(41-14-6-2-7-15-41)34-53(58)54-35-46(24-31-59(54)66)42-16-8-3-9-17-42)38-51(40)52-39-50(28-29-57(52)62(63,64)65)67-60-32-25-47(43-18-10-4-11-19-43)36-55(60)56-37-48(26-33-61(56)67)44-20-12-5-13-21-44;1-24-6-7-25(46-38-20-27(48-2)9-13-31(38)32-14-10-28(49-3)21-39(32)46)18-35(24)36-19-26(8-17-37(36)42(43,44)45)47-40-22-29(50-4)11-15-33(40)34-16-12-30(51-5)23-41(34)47;1-24-12-13-25(44-36-10-6-4-8-29(36)31-17-15-27(46-2)22-38(31)44)20-33(24)34-21-26(14-19-35(34)40(41,42)43)45-37-11-7-5-9-30(37)32-18-16-28(47-3)23-39(32)45/h2-39H,1H3;6-23H,1-5H3;4-23H,1-3H3
InChIKeyOBRSRSIESZZLOJ-UHFFFAOYSA-N
MW2184.43 g/mol
LogP39.34
Rot. Bonds19

About 9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole

9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole (PubChem CID 159947663) has the molecular formula C144H103F9N6O6 and a molecular weight of 2184.43 g/mol. Its IUPAC name is 9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole
PubChem CID159947663
Molecular FormulaC144H103F9N6O6
Molecular Weight2184.43 g/mol
Exact Mass2182.78
IUPAC Name9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESCOc1ccc2c3ccc(OC)cc3n(-c3ccc(C)c(-c4cc(-n5c6cc(OC)ccc6c6ccc(OC)cc65)ccc4C(F)(F)F)c3)c2c1.COc1ccc2c3ccccc3n(-c3ccc(C)c(-c4cc(-n5c6ccccc6c6ccc(OC)cc65)ccc4C(F)(F)F)c3)c2c1.Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)ccc1C(F)(F)F
InChIInChI=1S/C62H41F3N2.C42H33F3N2O4.C40H29F3N2O2/c1-40-22-27-49(66-58-30-23-45(41-14-6-2-7-15-41)34-53(58)54-35-46(24-31-59(54)66)42-16-8-3-9-17-42)38-51(40)52-39-50(28-29-57(52)62(63,64)65)67-60-32-25-47(43-18-10-4-11-19-43)36-55(60)56-37-48(26-33-61(56)67)44-20-12-5-13-21-44;1-24-6-7-25(46-38-20-27(48-2)9-13-31(38)32-14-10-28(49-3)21-39(32)46)18-35(24)36-19-26(8-17-37(36)42(43,44)45)47-40-22-29(50-4)11-15-33(40)34-16-12-30(51-5)23-41(34)47;1-24-12-13-25(44-36-10-6-4-8-29(36)31-17-15-27(46-2)22-38(31)44)20-33(24)34-21-26(14-19-35(34)40(41,42)43)45-37-11-7-5-9-30(37)32-18-16-28(47-3)23-39(32)45/h2-39H,1H3;6-23H,1-5H3;4-23H,1-3H3
InChIKeyOBRSRSIESZZLOJ-UHFFFAOYSA-N
XLogP39.34
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms165
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002184.43
LogP ≤ 539.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole (CID 159947663) is 9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole is COc1ccc2c3ccc(OC)cc3n(-c3ccc(C)c(-c4cc(-n5c6cc(OC)ccc6c6ccc(OC)cc65)ccc4C(F)(F)F)c3)c2c1.COc1ccc2c3ccccc3n(-c3ccc(C)c(-c4cc(-n5c6ccccc6c6ccc(OC)cc65)ccc4C(F)(F)F)c3)c2c1.Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)ccc1C(F)(F)F.
What is the InChIKey of 9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is OBRSRSIESZZLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41F3N2.C42H33F3N2O4.C40H29F3N2O2/c1-40-22-27-49(66-58-30-23-45(41-14-6-2-7-15-41)34-53(58)54-35-46(24-31-59(54)66)42-16-8-3-9-17-42)38-51(40)52-39-50(28-29-57(52)62(63,64)65)67-60-32-25-47(43-18-10-4-11-19-43)36-55(60)56-37-48(26-33-61(56)67)44-20-12-5-13-21-44;1-24-6-7-25(46-38-20-27(48-2)9-13-31(38)32-14-10-28(49-3)21-39(32)46)18-35(24)36-19-26(8-17-37(36)42(43,44)45)47-40-22-29(50-4)11-15-33(40)34-16-12-30(51-5)23-41(34)47;1-24-12-13-25(44-36-10-6-4-8-29(36)31-17-15-27(46-2)22-38(31)44)20-33(24)34-21-26(14-19-35(34)40(41,42)43)45-37-11-7-5-9-30(37)32-18-16-28(47-3)23-39(32)45/h2-39H,1H3;6-23H,1-5H3;4-23H,1-3H3.
What are the key properties of 9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole?
9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole has a molecular weight of 2184.43 g/mol, XLogP of 39.34, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[5-(2,7-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[3-[5-(3,6-diphenylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 159947663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).