12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]

C155H113F3N8O — CID 165056987

IUPAC12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]
SMILESFC(F)(F)c1ccc(-c2nc3ccccc3nc2-n2c3cc4c(cc3c3c5ccccc5ccc32)C2(c3ccccc3-4)C3CC4CC(C3)CC2C4)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)C2(c3ccccc3-4)C3CC4CC(C3)CC2C4)c(-c2cccc3c2oc2ccccc23)c1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6cc7c(cc6c6c8ccccc8ccc65)C5(c6ccccc6-7)C6CC7CC(C6)CC5C7)nc5ccccc45)ccc32)cc1
InChIInChI=1S/C58H42N4.C50H37NO.C47H34F3N3/c1-2-13-40(14-3-1)61-51-21-11-8-17-43(51)46-31-37(23-24-52(46)61)56-44-18-7-10-20-50(44)59-57(60-56)62-53-25-22-36-12-4-5-15-41(36)55(53)47-32-49-45(33-54(47)62)42-16-6-9-19-48(42)58(49)38-27-34-26-35(29-38)30-39(58)28-34;1-2-11-34-31(10-1)20-21-45-48(34)41-27-43-40(35-12-3-6-17-42(35)50(43)32-23-29-22-30(25-32)26-33(50)24-29)28-46(41)51(45)44-18-7-4-13-36(44)38-15-9-16-39-37-14-5-8-19-47(37)52-49(38)39;48-47(49,50)30-16-13-29(14-17-30)44-45(52-40-12-6-5-11-39(40)51-44)53-41-18-15-28-7-1-2-8-33(28)43(41)36-24-38-35(25-42(36)53)34-9-3-4-10-37(34)46(38)31-20-26-19-27(22-31)23-32(46)21-26/h1-25,31-35,38-39H,26-30H2;1-21,27-30,32-33H,22-26H2;1-18,24-27,31-32H,19-23H2
InChIKeyQOYJCCFKWSROLL-UHFFFAOYSA-N
MW2160.66 g/mol
LogP39.88
Rot. Bonds7

About 12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]

12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane] (PubChem CID 165056987) has the molecular formula C155H113F3N8O and a molecular weight of 2160.66 g/mol. Its IUPAC name is 12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane].

Molecular Properties

Compound Name12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]
PubChem CID165056987
Molecular FormulaC155H113F3N8O
Molecular Weight2160.66 g/mol
Exact Mass2158.90
IUPAC Name12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]
SMILESFC(F)(F)c1ccc(-c2nc3ccccc3nc2-n2c3cc4c(cc3c3c5ccccc5ccc32)C2(c3ccccc3-4)C3CC4CC(C3)CC2C4)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)C2(c3ccccc3-4)C3CC4CC(C3)CC2C4)c(-c2cccc3c2oc2ccccc23)c1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6cc7c(cc6c6c8ccccc8ccc65)C5(c6ccccc6-7)C6CC7CC(C6)CC5C7)nc5ccccc45)ccc32)cc1
InChIInChI=1S/C58H42N4.C50H37NO.C47H34F3N3/c1-2-13-40(14-3-1)61-51-21-11-8-17-43(51)46-31-37(23-24-52(46)61)56-44-18-7-10-20-50(44)59-57(60-56)62-53-25-22-36-12-4-5-15-41(36)55(53)47-32-49-45(33-54(47)62)42-16-6-9-19-48(42)58(49)38-27-34-26-35(29-38)30-39(58)28-34;1-2-11-34-31(10-1)20-21-45-48(34)41-27-43-40(35-12-3-6-17-42(35)50(43)32-23-29-22-30(25-32)26-33(50)24-29)28-46(41)51(45)44-18-7-4-13-36(44)38-15-9-16-39-37-14-5-8-19-47(37)52-49(38)39;48-47(49,50)30-16-13-29(14-17-30)44-45(52-40-12-6-5-11-39(40)51-44)53-41-18-15-28-7-1-2-8-33(28)43(41)36-24-38-35(25-42(36)53)34-9-3-4-10-37(34)46(38)31-20-26-19-27(22-31)23-32(46)21-26/h1-25,31-35,38-39H,26-30H2;1-21,27-30,32-33H,22-26H2;1-18,24-27,31-32H,19-23H2
InChIKeyQOYJCCFKWSROLL-UHFFFAOYSA-N
XLogP39.88
TPSA84.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002160.66
LogP ≤ 539.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]?
The IUPAC name of 12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane] (CID 165056987) is 12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane].
What is the SMILES notation for 12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]?
The canonical SMILES for 12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane] is FC(F)(F)c1ccc(-c2nc3ccccc3nc2-n2c3cc4c(cc3c3c5ccccc5ccc32)C2(c3ccccc3-4)C3CC4CC(C3)CC2C4)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)C2(c3ccccc3-4)C3CC4CC(C3)CC2C4)c(-c2cccc3c2oc2ccccc23)c1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6cc7c(cc6c6c8ccccc8ccc65)C5(c6ccccc6-7)C6CC7CC(C6)CC5C7)nc5ccccc45)ccc32)cc1.
What is the InChIKey of 12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]?
The InChIKey is QOYJCCFKWSROLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4.C50H37NO.C47H34F3N3/c1-2-13-40(14-3-1)61-51-21-11-8-17-43(51)46-31-37(23-24-52(46)61)56-44-18-7-10-20-50(44)59-57(60-56)62-53-25-22-36-12-4-5-15-41(36)55(53)47-32-49-45(33-54(47)62)42-16-6-9-19-48(42)58(49)38-27-34-26-35(29-38)30-39(58)28-34;1-2-11-34-31(10-1)20-21-45-48(34)41-27-43-40(35-12-3-6-17-42(35)50(43)32-23-29-22-30(25-32)26-33(50)24-29)28-46(41)51(45)44-18-7-4-13-36(44)38-15-9-16-39-37-14-5-8-19-47(37)52-49(38)39;48-47(49,50)30-16-13-29(14-17-30)44-45(52-40-12-6-5-11-39(40)51-44)53-41-18-15-28-7-1-2-8-33(28)43(41)36-24-38-35(25-42(36)53)34-9-3-4-10-37(34)46(38)31-20-26-19-27(22-31)23-32(46)21-26/h1-25,31-35,38-39H,26-30H2;1-21,27-30,32-33H,22-26H2;1-18,24-27,31-32H,19-23H2.
What are the key properties of 12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]?
12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane] has a molecular weight of 2160.66 g/mol, XLogP of 39.88, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-dibenzofuran-4-ylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane];12-[3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane] is sourced from PubChem (CID 165056987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).