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

C30H20B2S2 — CID 166016057

IUPAC10,15-diphenyl-3,22-dithia-10,15-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene
SMILESc1ccc(B2c3ccccc3Sc3c2ccc2c3Sc3ccccc3B2c2ccccc2)cc1
InChIInChI=1S/C30H20B2S2/c1-3-11-21(12-4-1)31-23-15-7-9-17-27(23)33-29-25(31)19-20-26-30(29)34-28-18-10-8-16-24(28)32(26)22-13-5-2-6-14-22/h1-20H
InChIKeyDWVMBYMWLTUGPA-UHFFFAOYSA-N
MW466.25 g/mol
LogP3.65
Rot. Bonds2

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

10,15-diphenyl-3,22-dithia-10,15-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 166016057) has the molecular formula C30H20B2S2 and a molecular weight of 466.25 g/mol. Its IUPAC name is 10,15-diphenyl-3,22-dithia-10,15-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 Name10,15-diphenyl-3,22-dithia-10,15-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene
PubChem CID166016057
Molecular FormulaC30H20B2S2
Molecular Weight466.25 g/mol
Exact Mass466.12
IUPAC Name10,15-diphenyl-3,22-dithia-10,15-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene
SMILESc1ccc(B2c3ccccc3Sc3c2ccc2c3Sc3ccccc3B2c2ccccc2)cc1
InChIInChI=1S/C30H20B2S2/c1-3-11-21(12-4-1)31-23-15-7-9-17-27(23)33-29-25(31)19-20-26-30(29)34-28-18-10-8-16-24(28)32(26)22-13-5-2-6-14-22/h1-20H
InChIKeyDWVMBYMWLTUGPA-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10,15-diphenyl-3,22-dithia-10,15-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-phenyl-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzo[b][1,4]benzothiaborinine
CID 153293373
9-[3-(20,30-diphenyl-3,13,23-trithia-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-dodecaen-10-yl)phenyl]carbazole
CID 166016108
5-phenylbenzo[b][1]benzoborole
CID 11424968
9-(11'-carbazol-9-yl-5,5'-diphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzothiaborinine]-11-yl)-3,6-dimethoxycarbazole
CID 161034358
22,22-dimethyl-14-phenyl-8-thia-1-aza-14-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 155605503
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
5-iodo-10-phenylbenzo[b][1,4]benzazaborinine
CID 174032462
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
6,15-dithia-1-boraheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene
CID 164930519
10-(12-phenoxazin-10-yl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)phenoxazine
CID 123257995
5,23,28,46-tetrathia-3,26-diaza-16,39-diboradodecacyclo[25.19.1.14,16.02,25.06,15.09,14.017,22.029,38.032,37.039,47.040,45.024,48]octatetraconta-1(47),2(25),3,6(15),7,9,11,13,17,19,21,24(48),26,29(38),30,32,34,36,40,42,44-henicosaene
CID 176787303
11-methyl-N,N-diphenyl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 147380591

Frequently Asked Questions

What is the IUPAC name of 10,15-diphenyl-3,22-dithia-10,15-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 10,15-diphenyl-3,22-dithia-10,15-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene (CID 166016057) is 10,15-diphenyl-3,22-dithia-10,15-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 10,15-diphenyl-3,22-dithia-10,15-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 10,15-diphenyl-3,22-dithia-10,15-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(B2c3ccccc3Sc3c2ccc2c3Sc3ccccc3B2c2ccccc2)cc1.
What is the InChIKey of 10,15-diphenyl-3,22-dithia-10,15-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 DWVMBYMWLTUGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20B2S2/c1-3-11-21(12-4-1)31-23-15-7-9-17-27(23)33-29-25(31)19-20-26-30(29)34-28-18-10-8-16-24(28)32(26)22-13-5-2-6-14-22/h1-20H.
What are the key properties of 10,15-diphenyl-3,22-dithia-10,15-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene?
10,15-diphenyl-3,22-dithia-10,15-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 466.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15-diphenyl-3,22-dithia-10,15-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 166016057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).