2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole

C152H127F3N6O2 — CID 159866161

IUPAC2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole
SMILESCC(C)n1c2cc(-n3c4cc(C5CCCCC5)ccc4c4ccc5ccccc5c43)ccc2c2cccc(-c3cccc4c5ccc(-n6c7cc(C8CCCCC8)ccc7c7ccc8ccccc8c76)cc5n(C(C)C)c34)c21.Cc1ccc2cc3c(cc2c1)c1cc(C24CC5CC(CC(C5)C2)C4)ccc1n3-c1ccc2c(c1)oc1ccc(-c3ccc4oc5cc(-n6c7ccc(C89CC%10CC(CC(C%10)C8)C9)cc7c7cc8cc(C(F)(F)F)ccc8cc76)ccc5c4c3)cc12
InChIInChI=1S/C78H61F3N2O2.C74H66N4/c1-42-2-3-51-30-70-62(28-53(51)18-42)64-32-55(76-36-43-19-44(37-76)21-45(20-43)38-76)8-14-68(64)82(70)58-10-12-60-66-26-49(5-16-72(66)84-74(60)34-58)50-6-17-73-67(27-50)61-13-11-59(35-75(61)85-73)83-69-15-9-56(77-39-46-22-47(40-77)24-48(23-46)41-77)33-65(69)63-29-54-25-57(78(79,80)81)7-4-52(54)31-71(63)83;1-45(2)75-69-43-53(77-67-41-51(47-17-7-5-8-18-47)31-35-57(67)65-37-29-49-21-11-13-23-55(49)71(65)77)33-39-59(69)61-25-15-27-63(73(61)75)64-28-16-26-62-60-40-34-54(44-70(60)76(46(3)4)74(62)64)78-68-42-52(48-19-9-6-10-20-48)32-36-58(68)66-38-30-50-22-12-14-24-56(50)72(66)78/h2-18,25-35,43-48H,19-24,36-41H2,1H3;11-16,21-48H,5-10,17-20H2,1-4H3
InChIKeyNRTFISGKCBFVCK-UHFFFAOYSA-N
MW2126.72 g/mol
LogP43.24
Rot. Bonds12

About 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole

2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole (PubChem CID 159866161) has the molecular formula C152H127F3N6O2 and a molecular weight of 2126.72 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole.

Molecular Properties

Compound Name2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole
PubChem CID159866161
Molecular FormulaC152H127F3N6O2
Molecular Weight2126.72 g/mol
Exact Mass2125.00
IUPAC Name2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole
SMILESCC(C)n1c2cc(-n3c4cc(C5CCCCC5)ccc4c4ccc5ccccc5c43)ccc2c2cccc(-c3cccc4c5ccc(-n6c7cc(C8CCCCC8)ccc7c7ccc8ccccc8c76)cc5n(C(C)C)c34)c21.Cc1ccc2cc3c(cc2c1)c1cc(C24CC5CC(CC(C5)C2)C4)ccc1n3-c1ccc2c(c1)oc1ccc(-c3ccc4oc5cc(-n6c7ccc(C89CC%10CC(CC(C%10)C8)C9)cc7c7cc8cc(C(F)(F)F)ccc8cc76)ccc5c4c3)cc12
InChIInChI=1S/C78H61F3N2O2.C74H66N4/c1-42-2-3-51-30-70-62(28-53(51)18-42)64-32-55(76-36-43-19-44(37-76)21-45(20-43)38-76)8-14-68(64)82(70)58-10-12-60-66-26-49(5-16-72(66)84-74(60)34-58)50-6-17-73-67(27-50)61-13-11-59(35-75(61)85-73)83-69-15-9-56(77-39-46-22-47(40-77)24-48(23-46)41-77)33-65(69)63-29-54-25-57(78(79,80)81)7-4-52(54)31-71(63)83;1-45(2)75-69-43-53(77-67-41-51(47-17-7-5-8-18-47)31-35-57(67)65-37-29-49-21-11-13-23-55(49)71(65)77)33-39-59(69)61-25-15-27-63(73(61)75)64-28-16-26-62-60-40-34-54(44-70(60)76(46(3)4)74(62)64)78-68-42-52(48-19-9-6-10-20-48)32-36-58(68)66-38-30-50-22-12-14-24-56(50)72(66)78/h2-18,25-35,43-48H,19-24,36-41H2,1H3;11-16,21-48H,5-10,17-20H2,1-4H3
InChIKeyNRTFISGKCBFVCK-UHFFFAOYSA-N
XLogP43.24
TPSA55.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms163
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002126.72
LogP ≤ 543.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole?
The IUPAC name of 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole (CID 159866161) is 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole.
What is the SMILES notation for 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole?
The canonical SMILES for 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole is CC(C)n1c2cc(-n3c4cc(C5CCCCC5)ccc4c4ccc5ccccc5c43)ccc2c2cccc(-c3cccc4c5ccc(-n6c7cc(C8CCCCC8)ccc7c7ccc8ccccc8c76)cc5n(C(C)C)c34)c21.Cc1ccc2cc3c(cc2c1)c1cc(C24CC5CC(CC(C5)C2)C4)ccc1n3-c1ccc2c(c1)oc1ccc(-c3ccc4oc5cc(-n6c7ccc(C89CC%10CC(CC(C%10)C8)C9)cc7c7cc8cc(C(F)(F)F)ccc8cc76)ccc5c4c3)cc12.
What is the InChIKey of 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole?
The InChIKey is NRTFISGKCBFVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H61F3N2O2.C74H66N4/c1-42-2-3-51-30-70-62(28-53(51)18-42)64-32-55(76-36-43-19-44(37-76)21-45(20-43)38-76)8-14-68(64)82(70)58-10-12-60-66-26-49(5-16-72(66)84-74(60)34-58)50-6-17-73-67(27-50)61-13-11-59(35-75(61)85-73)83-69-15-9-56(77-39-46-22-47(40-77)24-48(23-46)41-77)33-65(69)63-29-54-25-57(78(79,80)81)7-4-52(54)31-71(63)83;1-45(2)75-69-43-53(77-67-41-51(47-17-7-5-8-18-47)31-35-57(67)65-37-29-49-21-11-13-23-55(49)71(65)77)33-39-59(69)61-25-15-27-63(73(61)75)64-28-16-26-62-60-40-34-54(44-70(60)76(46(3)4)74(62)64)78-68-42-52(48-19-9-6-10-20-48)32-36-58(68)66-38-30-50-22-12-14-24-56(50)72(66)78/h2-18,25-35,43-48H,19-24,36-41H2,1H3;11-16,21-48H,5-10,17-20H2,1-4H3.
What are the key properties of 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole?
2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole has a molecular weight of 2126.72 g/mol, XLogP of 43.24, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole is sourced from PubChem (CID 159866161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).