1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole

C110H92F12N6O5 — CID 159160231

IUPAC1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole
SMILESCOc1ccc2c([nH]c3c(C)cccc32)c1-c1ccc(C(F)(F)F)cc1.COc1ccc2c([nH]c3c(C)cccc32)c1-c1ccc(C)cc1.COc1ccc2c([nH]c3c(C)cccc32)c1-c1cccc(C(F)(F)F)c1.COc1ccc2c([nH]c3c(C)cccc32)c1C#CC12CC3CC(CC(C3)C1)C2.COc1ccc2c([nH]c3c(C)nccc32)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H27NO.C21H14F6N2O.2C21H16F3NO.C21H19NO/c1-16-4-3-5-20-21-6-7-23(28-2)22(25(21)27-24(16)20)8-9-26-13-17-10-18(14-26)12-19(11-17)15-26;1-10-18-15(5-6-28-10)14-3-4-16(30-2)17(19(14)29-18)11-7-12(20(22,23)24)9-13(8-11)21(25,26)27;1-12-5-3-8-15-16-9-10-17(26-2)18(20(16)25-19(12)15)13-6-4-7-14(11-13)21(22,23)24;1-12-4-3-5-15-16-10-11-17(26-2)18(20(16)25-19(12)15)13-6-8-14(9-7-13)21(22,23)24;1-13-7-9-15(10-8-13)19-18(23-3)12-11-17-16-6-4-5-14(2)20(16)22-21(17)19/h3-7,17-19,27H,10-15H2,1-2H3;3-9,29H,1-2H3;2*3-11,25H,1-2H3;4-12,22H,1-3H3
InChIKeyKKJXWLJMSVZAGT-UHFFFAOYSA-N
MW1805.96 g/mol
LogP31.21
Rot. Bonds9

About 1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole

1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole (PubChem CID 159160231) has the molecular formula C110H92F12N6O5 and a molecular weight of 1805.96 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole
PubChem CID159160231
Molecular FormulaC110H92F12N6O5
Molecular Weight1805.96 g/mol
Exact Mass1804.69
IUPAC Name1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole
SMILESCOc1ccc2c([nH]c3c(C)cccc32)c1-c1ccc(C(F)(F)F)cc1.COc1ccc2c([nH]c3c(C)cccc32)c1-c1ccc(C)cc1.COc1ccc2c([nH]c3c(C)cccc32)c1-c1cccc(C(F)(F)F)c1.COc1ccc2c([nH]c3c(C)cccc32)c1C#CC12CC3CC(CC(C3)C1)C2.COc1ccc2c([nH]c3c(C)nccc32)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H27NO.C21H14F6N2O.2C21H16F3NO.C21H19NO/c1-16-4-3-5-20-21-6-7-23(28-2)22(25(21)27-24(16)20)8-9-26-13-17-10-18(14-26)12-19(11-17)15-26;1-10-18-15(5-6-28-10)14-3-4-16(30-2)17(19(14)29-18)11-7-12(20(22,23)24)9-13(8-11)21(25,26)27;1-12-5-3-8-15-16-9-10-17(26-2)18(20(16)25-19(12)15)13-6-4-7-14(11-13)21(22,23)24;1-12-4-3-5-15-16-10-11-17(26-2)18(20(16)25-19(12)15)13-6-8-14(9-7-13)21(22,23)24;1-13-7-9-15(10-8-13)19-18(23-3)12-11-17-16-6-4-5-14(2)20(16)22-21(17)19/h3-7,17-19,27H,10-15H2,1-2H3;3-9,29H,1-2H3;2*3-11,25H,1-2H3;4-12,22H,1-3H3
InChIKeyKKJXWLJMSVZAGT-UHFFFAOYSA-N
XLogP31.21
TPSA137.99 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001805.96
LogP ≤ 531.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole?
The IUPAC name of 1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole (CID 159160231) is 1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole.
What is the SMILES notation for 1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole?
The canonical SMILES for 1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole is COc1ccc2c([nH]c3c(C)cccc32)c1-c1ccc(C(F)(F)F)cc1.COc1ccc2c([nH]c3c(C)cccc32)c1-c1ccc(C)cc1.COc1ccc2c([nH]c3c(C)cccc32)c1-c1cccc(C(F)(F)F)c1.COc1ccc2c([nH]c3c(C)cccc32)c1C#CC12CC3CC(CC(C3)C1)C2.COc1ccc2c([nH]c3c(C)nccc32)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole?
The InChIKey is KKJXWLJMSVZAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO.C21H14F6N2O.2C21H16F3NO.C21H19NO/c1-16-4-3-5-20-21-6-7-23(28-2)22(25(21)27-24(16)20)8-9-26-13-17-10-18(14-26)12-19(11-17)15-26;1-10-18-15(5-6-28-10)14-3-4-16(30-2)17(19(14)29-18)11-7-12(20(22,23)24)9-13(8-11)21(25,26)27;1-12-5-3-8-15-16-9-10-17(26-2)18(20(16)25-19(12)15)13-6-4-7-14(11-13)21(22,23)24;1-12-4-3-5-15-16-10-11-17(26-2)18(20(16)25-19(12)15)13-6-8-14(9-7-13)21(22,23)24;1-13-7-9-15(10-8-13)19-18(23-3)12-11-17-16-6-4-5-14(2)20(16)22-21(17)19/h3-7,17-19,27H,10-15H2,1-2H3;3-9,29H,1-2H3;2*3-11,25H,1-2H3;4-12,22H,1-3H3.
What are the key properties of 1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole?
1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole has a molecular weight of 1805.96 g/mol, XLogP of 31.21, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)ethynyl]-2-methoxy-8-methyl-9H-carbazole;8-[3,5-bis(trifluoromethyl)phenyl]-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;2-methoxy-8-methyl-1-(4-methylphenyl)-9H-carbazole;2-methoxy-8-methyl-1-[3-(trifluoromethyl)phenyl]-9H-carbazole;2-methoxy-8-methyl-1-[4-(trifluoromethyl)phenyl]-9H-carbazole is sourced from PubChem (CID 159160231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).