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

C124H89F15N6O10 — CID 158748864

IUPAC9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1cc(-c2ccc(C(F)(F)F)c(-n3c4ccc(OC)cc4c4cc(OC)ccc43)c2)ccc1C(F)(F)F.COc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(C(F)(F)F)c(-n3c4ccccc4c4cc(OC)ccc43)c2)ccc1C.COc1ccc2c3ccc(OC)cc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6cc(OC)ccc6c6ccc(OC)cc65)c4)ccc3C(F)(F)F)c2c1
InChIInChI=1S/2C42H30F6N2O4.C40H29F3N2O2/c1-51-25-7-11-29-30-12-8-26(52-2)20-36(30)49(35(29)19-25)39-17-23(5-15-33(39)41(43,44)45)24-6-16-34(42(46,47)48)40(18-24)50-37-21-27(53-3)9-13-31(37)32-14-10-28(54-4)22-38(32)50;1-51-25-7-13-35-29(19-25)30-20-26(52-2)8-14-36(30)49(35)39-17-23(5-11-33(39)41(43,44)45)24-6-12-34(42(46,47)48)40(18-24)50-37-15-9-27(53-3)21-31(37)32-22-28(54-4)10-16-38(32)50;1-24-12-13-25(20-38(24)44-34-10-6-4-8-29(34)31-22-27(46-2)15-18-36(31)44)26-14-17-33(40(41,42)43)39(21-26)45-35-11-7-5-9-30(35)32-23-28(47-3)16-19-37(32)45/h2*5-22H,1-4H3;4-23H,1-3H3
InChIKeyINFHGFLEKIXJOM-UHFFFAOYSA-N
MW2108.08 g/mol
LogP34.13
Rot. Bonds19

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

9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole (PubChem CID 158748864) has the molecular formula C124H89F15N6O10 and a molecular weight of 2108.08 g/mol. Its IUPAC name is 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole
PubChem CID158748864
Molecular FormulaC124H89F15N6O10
Molecular Weight2108.08 g/mol
Exact Mass2106.64
IUPAC Name9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1cc(-c2ccc(C(F)(F)F)c(-n3c4ccc(OC)cc4c4cc(OC)ccc43)c2)ccc1C(F)(F)F.COc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(C(F)(F)F)c(-n3c4ccccc4c4cc(OC)ccc43)c2)ccc1C.COc1ccc2c3ccc(OC)cc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6cc(OC)ccc6c6ccc(OC)cc65)c4)ccc3C(F)(F)F)c2c1
InChIInChI=1S/2C42H30F6N2O4.C40H29F3N2O2/c1-51-25-7-11-29-30-12-8-26(52-2)20-36(30)49(35(29)19-25)39-17-23(5-15-33(39)41(43,44)45)24-6-16-34(42(46,47)48)40(18-24)50-37-21-27(53-3)9-13-31(37)32-14-10-28(54-4)22-38(32)50;1-51-25-7-13-35-29(19-25)30-20-26(52-2)8-14-36(30)49(35)39-17-23(5-11-33(39)41(43,44)45)24-6-12-34(42(46,47)48)40(18-24)50-37-15-9-27(53-3)21-31(37)32-22-28(54-4)10-16-38(32)50;1-24-12-13-25(20-38(24)44-34-10-6-4-8-29(34)31-22-27(46-2)15-18-36(31)44)26-14-17-33(40(41,42)43)39(21-26)45-35-11-7-5-9-30(35)32-23-28(47-3)16-19-37(32)45/h2*5-22H,1-4H3;4-23H,1-3H3
InChIKeyINFHGFLEKIXJOM-UHFFFAOYSA-N
XLogP34.13
TPSA121.88 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms155
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002108.08
LogP ≤ 534.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Frequently Asked Questions

What is the IUPAC name of 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole (CID 158748864) is 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1cc(-c2ccc(C(F)(F)F)c(-n3c4ccc(OC)cc4c4cc(OC)ccc43)c2)ccc1C(F)(F)F.COc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(C(F)(F)F)c(-n3c4ccccc4c4cc(OC)ccc43)c2)ccc1C.COc1ccc2c3ccc(OC)cc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6cc(OC)ccc6c6ccc(OC)cc65)c4)ccc3C(F)(F)F)c2c1.
What is the InChIKey of 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is INFHGFLEKIXJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H30F6N2O4.C40H29F3N2O2/c1-51-25-7-11-29-30-12-8-26(52-2)20-36(30)49(35(29)19-25)39-17-23(5-15-33(39)41(43,44)45)24-6-16-34(42(46,47)48)40(18-24)50-37-21-27(53-3)9-13-31(37)32-14-10-28(54-4)22-38(32)50;1-51-25-7-13-35-29(19-25)30-20-26(52-2)8-14-36(30)49(35)39-17-23(5-11-33(39)41(43,44)45)24-6-12-34(42(46,47)48)40(18-24)50-37-15-9-27(53-3)21-31(37)32-22-28(54-4)10-16-38(32)50;1-24-12-13-25(20-38(24)44-34-10-6-4-8-29(34)31-22-27(46-2)15-18-36(31)44)26-14-17-33(40(41,42)43)39(21-26)45-35-11-7-5-9-30(35)32-23-28(47-3)16-19-37(32)45/h2*5-22H,1-4H3;4-23H,1-3H3.
What are the key properties of 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole?
9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 2108.08 g/mol, XLogP of 34.13, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole;9-[5-[3-(3,6-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[5-[3-(3-methoxycarbazol-9-yl)-4-methylphenyl]-2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 158748864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).