15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one

C60H35BN2O2 — CID 156863250

IUPAC15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one
SMILESO=C1N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3ccc4c(c23)N1c1cc2c(cc1B4c1ccccc1-c1ccccc1)oc1ccccc12
InChIInChI=1S/C60H35BN2O2/c64-59-62(52-30-15-27-47-57(52)42-23-6-11-26-46(42)60(47)44-24-9-4-20-39(44)40-21-5-10-25-45(40)60)51-29-14-18-37-32-33-49-58(56(37)51)63(59)53-34-43-41-22-8-13-31-54(41)65-55(43)35-50(53)61(49)48-28-12-7-19-38(48)36-16-2-1-3-17-36/h1-35H
InChIKeyJZCNAKHOKFPDBX-UHFFFAOYSA-N
MW826.76 g/mol
LogP12.99
Rot. Bonds3

About 15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one

15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one (PubChem CID 156863250) has the molecular formula C60H35BN2O2 and a molecular weight of 826.76 g/mol. Its IUPAC name is 15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one.

Molecular Properties

Compound Name15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one
PubChem CID156863250
Molecular FormulaC60H35BN2O2
Molecular Weight826.76 g/mol
Exact Mass826.28
IUPAC Name15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one
SMILESO=C1N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3ccc4c(c23)N1c1cc2c(cc1B4c1ccccc1-c1ccccc1)oc1ccccc12
InChIInChI=1S/C60H35BN2O2/c64-59-62(52-30-15-27-47-57(52)42-23-6-11-26-46(42)60(47)44-24-9-4-20-39(44)40-21-5-10-25-45(40)60)51-29-14-18-37-32-33-49-58(56(37)51)63(59)53-34-43-41-22-8-13-31-54(41)65-55(43)35-50(53)61(49)48-28-12-7-19-38(48)36-16-2-1-3-17-36/h1-35H
InChIKeyJZCNAKHOKFPDBX-UHFFFAOYSA-N
XLogP12.99
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.76
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one with MolForge

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Related Compounds

8-dibenzofuran-2-yl-N,N-diphenyl-14-(9,9'-spirobi[fluorene]-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine
CID 175623923
11-dibenzofuran-2-yl-8,14-bis(2-phenylphenyl)-4,18-bis(9,9'-spirobi[fluorene]-4'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171399778
11-dibenzofuran-2-yl-8,14-bis(2,6-diphenylphenyl)-4,18-bis(9,9'-spirobi[fluorene]-4'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171399666
18-phenyl-15,21-bis(2-phenylphenyl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaene
CID 176828500
11,19-di(dibenzofuran-1-yl)-9,9,21,21-tetramethyl-1,29-diaza-11,19-diboranonacyclo[27.3.1.02,10.03,8.012,32.015,31.018,30.020,28.022,27]tritriaconta-2(10),3,5,7,12(32),13,15(31),16,18(30),20(28),22,24,26-tridecaen-33-one
CID 156863318
26,27,28,29,31-pentadeuterio-15-(2-phenylphenyl)-5-oxa-1,24-diaza-15-boranonacyclo[17.13.2.02,14.04,12.06,11.016,33.023,34.024,32.025,30]tetratriaconta-2,4(12),6,8,10,13,16(33),17,19(34),20,22,25,27,29,31-pentadecaene
CID 170524560
15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene
CID 174007909
N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578
17-phenyl-2,6-diaza-17,25-diboraundecacyclo[23.16.1.12,6.03,24.04,21.05,18.07,16.09,14.026,31.032,37.038,42]tritetraconta-1(41),3(24),4(21),5(18),7,9,11,13,15,19,22,26,28,30,32,34,36,38(42),39-nonadecaen-43-one
CID 168741977
15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-18-phenyl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaene
CID 168831494
N-dibenzofuran-2-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240558
2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146649073

Frequently Asked Questions

What is the IUPAC name of 15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one?
The IUPAC name of 15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one (CID 156863250) is 15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one.
What is the SMILES notation for 15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one?
The canonical SMILES for 15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one is O=C1N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3ccc4c(c23)N1c1cc2c(cc1B4c1ccccc1-c1ccccc1)oc1ccccc12.
What is the InChIKey of 15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one?
The InChIKey is JZCNAKHOKFPDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35BN2O2/c64-59-62(52-30-15-27-47-57(52)42-23-6-11-26-46(42)60(47)44-24-9-4-20-39(44)40-21-5-10-25-45(40)60)51-29-14-18-37-32-33-49-58(56(37)51)63(59)53-34-43-41-22-8-13-31-54(41)65-55(43)35-50(53)61(49)48-28-12-7-19-38(48)36-16-2-1-3-17-36/h1-35H.
What are the key properties of 15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one?
15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one has a molecular weight of 826.76 g/mol, XLogP of 12.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-phenylphenyl)-24-(9,9'-spirobi[fluorene]-4-yl)-11-oxa-1,24-diaza-15-boraheptacyclo[17.6.2.02,14.04,12.05,10.016,26.023,27]heptacosa-2,4(12),5,7,9,13,16(26),17,19(27),20,22-undecaen-25-one is sourced from PubChem (CID 156863250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).