26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene

C36H21BN2O — CID 174126536

IUPAC26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene
SMILESc1ccc(N2c3ccccc3B3c4c2cc2ccccc2c4-c2cccc4c5oc6ccccc6c5n3c24)cc1
InChIInChI=1S/C36H21BN2O/c1-2-12-23(13-3-1)38-29-19-8-7-18-28(29)37-33-30(38)21-22-11-4-5-14-24(22)32(33)26-16-10-17-27-34(26)39(37)35-25-15-6-9-20-31(25)40-36(27)35/h1-21H
InChIKeyBZTCJAGIXRBPJI-UHFFFAOYSA-N
MW508.39 g/mol
LogP8.11
Rot. Bonds1

About 26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene

26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene (PubChem CID 174126536) has the molecular formula C36H21BN2O and a molecular weight of 508.39 g/mol. Its IUPAC name is 26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene.

Molecular Properties

Compound Name26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene
PubChem CID174126536
Molecular FormulaC36H21BN2O
Molecular Weight508.39 g/mol
Exact Mass508.17
IUPAC Name26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene
SMILESc1ccc(N2c3ccccc3B3c4c2cc2ccccc2c4-c2cccc4c5oc6ccccc6c5n3c24)cc1
InChIInChI=1S/C36H21BN2O/c1-2-12-23(13-3-1)38-29-19-8-7-18-28(29)37-33-30(38)21-22-11-4-5-14-24(22)32(33)26-16-10-17-27-34(26)39(37)35-25-15-6-9-20-31(25)40-36(27)35/h1-21H
InChIKeyBZTCJAGIXRBPJI-UHFFFAOYSA-N
XLogP8.11
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.39
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene with MolForge

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Related Compounds

N,N-bis(4-tert-butylphenyl)-26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27(32),28,30-pentadecaen-30-amine
CID 174126558
18-methyl-13-phenyl-3-oxa-13,21-diaza-20-boranonacyclo[18.12.1.121,28.02,10.04,9.012,33.014,19.022,27.032,34]tetratriaconta-1,4,6,8,10,12(33),14,16,18,22,24,26,28(34),29,31-pentadecaene
CID 174068817
11,31-diphenyl-3,11,23,31-tetraza-4,24-diboradodecacyclo[21.17.1.13,17.14,12.124,32.02,22.05,10.025,30.037,41.016,44.021,43.036,42]tetratetraconta-1(41),2(22),5,7,9,12,14,16(44),17,19,21(43),25,27,29,32,34,36(42),37,39-nonadecaene
CID 172508030
13-naphthalen-2-yl-3-oxa-13,25-diaza-24-boradecacyclo[22.12.1.125,32.02,10.04,9.012,37.014,23.016,21.026,31.036,38]octatriaconta-1,4,6,8,10,12(37),14,16,18,20,22,26,28,30,32(38),33,35-heptadecaene
CID 168775861
11-dibenzofuran-4-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 168727770
10,28-dioxa-2,26-diaza-1-boradodecacyclo[23.15.1.12,12.126,36.03,11.04,9.017,41.019,24.027,35.029,34.016,43.040,42]tritetraconta-3(11),4,6,8,12(43),13,15,17,19,21,23,25(41),27(35),29,31,33,36,38,40(42)-nonadecaene
CID 174015459
28-tert-butyl-8-phenyl-11-oxa-8,32-diaza-1-boranonacyclo[18.12.1.121,25.02,7.09,33.010,18.012,17.026,31.032,34]tetratriaconta-2,4,6,9,12,14,16,18,20(33),21,23,25(34),26(31),27,29-pentadecaene
CID 168776061
8,28-diphenyl-11-oxa-8,32-diaza-1-boranonacyclo[18.12.1.121,25.02,7.09,33.010,18.012,17.026,31.032,34]tetratriaconta-2,4,6,9,12,14,16,18,20(33),21,23,25(34),26(31),27,29-pentadecaene
CID 168775833
14-N,14-N,34-N,34-N,11,31-hexakis-phenyl-3,11,23,31-tetraza-4,24-diboradodecacyclo[21.17.1.13,17.14,12.124,32.02,22.05,10.025,30.037,41.016,44.021,43.036,42]tetratetraconta-1(41),2(22),5,7,9,12,14,16(44),17,19,21(43),25,27,29,32,34,36(42),37,39-nonadecaene-14,34-diamine
CID 172507889
13-phenyl-9-oxa-13,25-diaza-24-boradecacyclo[22.12.1.125,32.02,10.03,8.012,37.014,23.017,22.026,31.036,38]octatriaconta-1(37),2(10),3,5,7,11,14(23),15,17,19,21,26,28,30,32(38),33,35-heptadecaene
CID 168775778
16-(2-methylphenyl)-24-phenyl-5,12-dithia-16,24-diaza-17-boraoctacyclo[15.15.1.02,15.04,13.06,11.018,23.025,33.027,32]tritriaconta-1(33),2,4(13),6,8,10,14,18,20,22,25,27,29,31-tetradecaene
CID 174015168
24-phenyl-10-oxa-21-thia-1,24-diaza-31-boranonacyclo[17.12.1.120,23.02,7.08,32.09,17.011,16.025,30.031,33]tritriaconta-2,4,6,8,11,13,15,17,19(32),20(33),22,25,27,29-tetradecaene
CID 177096914

Frequently Asked Questions

What is the IUPAC name of 26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene?
The IUPAC name of 26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene (CID 174126536) is 26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene.
What is the SMILES notation for 26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene?
The canonical SMILES for 26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene is c1ccc(N2c3ccccc3B3c4c2cc2ccccc2c4-c2cccc4c5oc6ccccc6c5n3c24)cc1.
What is the InChIKey of 26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene?
The InChIKey is BZTCJAGIXRBPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21BN2O/c1-2-12-23(13-3-1)38-29-19-8-7-18-28(29)37-33-30(38)21-22-11-4-5-14-24(22)32(33)26-16-10-17-27-34(26)39(37)35-25-15-6-9-20-31(25)40-36(27)35/h1-21H.
What are the key properties of 26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene?
26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene has a molecular weight of 508.39 g/mol, XLogP of 8.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 26-phenyl-10-oxa-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.04,9.018,23.025,33.027,32.016,34]tetratriaconta-3(11),4,6,8,12(34),13,15,17(33),18,20,22,24,27,29,31-pentadecaene is sourced from PubChem (CID 174126536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).