About 25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] (PubChem CID 161237417) has the molecular formula C221H134N8O5
and a molecular weight of 2981.55 g/mol. Its IUPAC name is 25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene].
Frequently Asked Questions
What is the IUPAC name of 25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?
The IUPAC name of 25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] (CID 161237417) is 25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene].
What is the SMILES notation for 25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?
The canonical SMILES for 25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] is Cc1ccc(-n2c3ccc4ccccc4c3c3ccc4c(c32)Oc2ccccc2C42c3ccccc3-c3ccccc32)cc1.c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4ccc5c(c43)Oc3ccccc3C53c4ccccc4-c4ccccc43)nc3ncccc23)cc1.c1ccc(-n2c3ccc4ccccc4c3c3ccc4c(c32)Oc2ccccc2C42c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)Oc1c(ccc3c4c5ccccc5ccc4n(-c4ccc5ccccc5c4)c13)C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1c(ccc3c4c5ccccc5ccc4n(-c4cccc5ccccc45)c13)C21c2ccccc2-c2ccccc21.
What is the InChIKey of 25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?
The InChIKey is UZOFFXRVHPOUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O.2C45H27NO.C42H27NO.C41H25NO/c1-2-14-30(15-3-1)43-35-19-12-28-49-46(35)51-47(50-43)52-40-27-24-29-13-4-5-16-31(29)42(40)34-25-26-39-45(44(34)52)53-41-23-11-10-22-38(41)48(39)36-20-8-6-17-32(36)33-18-7-9-21-37(33)48;1-3-15-30-28(12-1)14-11-22-39(30)46-40-27-24-29-13-2-4-16-31(29)42(40)34-25-26-38-44(43(34)46)47-41-23-10-9-21-37(41)45(38)35-19-7-5-17-32(35)33-18-6-8-20-36(33)45;1-2-13-30-27-31(23-21-28(30)11-1)46-40-26-22-29-12-3-4-14-32(29)42(40)35-24-25-39-44(43(35)46)47-41-20-10-9-19-38(41)45(39)36-17-7-5-15-33(36)34-16-6-8-18-37(34)45;1-26-18-21-28(22-19-26)43-37-25-20-27-10-2-3-11-29(27)39(37)32-23-24-36-41(40(32)43)44-38-17-9-8-16-35(38)42(36)33-14-6-4-12-30(33)31-13-5-7-15-34(31)42;1-2-13-27(14-3-1)42-36-25-22-26-12-4-5-15-28(26)38(36)31-23-24-35-40(39(31)42)43-37-21-11-10-20-34(37)41(35)32-18-8-6-16-29(32)30-17-7-9-19-33(30)41/h1-28H;2*1-27H;2-25H,1H3;1-25H.
What are the key properties of 25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?
25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] has a molecular weight of 2981.55 g/mol, XLogP of 55.65, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 25-(4-methylphenyl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-1-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-naphthalen-2-ylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene];25-phenylspiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] is sourced from PubChem (CID 161237417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).