10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene

C30H20B2O2 — CID 166016106

IUPAC10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene
SMILESc1ccc(B2c3ccccc3Oc3c2ccc2c3B(c3ccccc3)c3ccccc3O2)cc1
InChIInChI=1S/C30H20B2O2/c1-3-11-21(12-4-1)31-23-15-7-10-18-27(23)34-30-25(31)19-20-28-29(30)32(22-13-5-2-6-14-22)24-16-8-9-17-26(24)33-28/h1-20H
InChIKeyOEPRBZGDNLPUGT-UHFFFAOYSA-N
MW434.11 g/mol
LogP2.93
Rot. Bonds2

About 10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene

10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene (PubChem CID 166016106) has the molecular formula C30H20B2O2 and a molecular weight of 434.11 g/mol. Its IUPAC name is 10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene.

Molecular Properties

Compound Name10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene
PubChem CID166016106
Molecular FormulaC30H20B2O2
Molecular Weight434.11 g/mol
Exact Mass434.16
IUPAC Name10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene
SMILESc1ccc(B2c3ccccc3Oc3c2ccc2c3B(c3ccccc3)c3ccccc3O2)cc1
InChIInChI=1S/C30H20B2O2/c1-3-11-21(12-4-1)31-23-15-7-10-18-27(23)34-30-25(31)19-20-28-29(30)32(22-13-5-2-6-14-22)24-16-8-9-17-26(24)33-28/h1-20H
InChIKeyOEPRBZGDNLPUGT-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.11
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene with MolForge

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Related Compounds

2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine
CID 177073473
10-(2-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 123411535
4,10,20,26,36,42-hexaoxa-1,17,33-triboratridecacyclo[35.11.1.15,9.121,25.02,35.03,18.011,16.019,34.027,32.041,49.043,48.017,51.033,50]henpentaconta-2,5,7,9(51),11,13,15,18,21,23,25(50),27,29,31,34,37,39,41(49),43,45,47-henicosaene
CID 123214081
3,17,20,34-tetraoxa-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene
CID 123300625
8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-10-carbonitrile
CID 170517020
10-[4-[3-[10-[2,6-dimethyl-4-[4-(10-phenyl-3,15-dithia-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl)phenyl]phenyl]-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaen-22-yl]-2,4-dimethylphenyl]phenyl]-20,30-diphenyl-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene
CID 174023561
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(10-phenylbenzo[b][1,4]benzoxaborinin-3-yl)benzene-1,3,5-triamine
CID 155654347
10,20,30-tris(2,6-diphenylphenyl)-3,13,23-trioxa-10,20,30-triboraheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4,6,8,11,14,16,18,21,24,26,28-dodecaene
CID 166016107
13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene
CID 163787504
[3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)phenyl]-triphenyl-λ4-sulfane
CID 174149035
10-phenyl-3-[3-(7-phenyltriphenylen-2-yl)phenyl]benzo[b][1,4]benzoxaborinine
CID 142356727
9,19,29-triphenyl-12,22-dioxa-9-aza-19,29-diboraheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13,15,17,20,23,25,27-dodecaene
CID 166016055

Frequently Asked Questions

What is the IUPAC name of 10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene?
The IUPAC name of 10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene (CID 166016106) is 10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene.
What is the SMILES notation for 10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene?
The canonical SMILES for 10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene is c1ccc(B2c3ccccc3Oc3c2ccc2c3B(c3ccccc3)c3ccccc3O2)cc1.
What is the InChIKey of 10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene?
The InChIKey is OEPRBZGDNLPUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20B2O2/c1-3-11-21(12-4-1)31-23-15-7-10-18-27(23)34-30-25(31)19-20-28-29(30)32(22-13-5-2-6-14-22)24-16-8-9-17-26(24)33-28/h1-20H.
What are the key properties of 10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene?
10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene has a molecular weight of 434.11 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,22-diphenyl-3,15-dioxa-10,22-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene is sourced from PubChem (CID 166016106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).