14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene

C42H28B2N2S — CID 149199847

IUPAC14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene
SMILESc1ccc(B2c3ccccc3N3c4cccc(c4)B4c5ccccc5N(c5ccccc5)c5ccc(cc54)Sc4ccc2c3c4)cc1
InChIInChI=1S/C42H28B2N2S/c1-3-12-29(13-4-1)43-35-18-7-10-21-40(35)46-32-17-11-14-30(26-32)44-36-19-8-9-20-39(36)45(31-15-5-2-6-16-31)41-25-23-33(27-38(41)44)47-34-22-24-37(43)42(46)28-34/h1-28H
InChIKeyXELZGAMBXWHJRF-UHFFFAOYSA-N
MW614.39 g/mol
LogP6.75
Rot. Bonds2

About 14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene

14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene (PubChem CID 149199847) has the molecular formula C42H28B2N2S and a molecular weight of 614.39 g/mol. Its IUPAC name is 14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene.

Molecular Properties

Compound Name14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene
PubChem CID149199847
Molecular FormulaC42H28B2N2S
Molecular Weight614.39 g/mol
Exact Mass614.22
IUPAC Name14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene
SMILESc1ccc(B2c3ccccc3N3c4cccc(c4)B4c5ccccc5N(c5ccccc5)c5ccc(cc54)Sc4ccc2c3c4)cc1
InChIInChI=1S/C42H28B2N2S/c1-3-12-29(13-4-1)43-35-18-7-10-21-40(35)46-32-17-11-14-30(26-32)44-36-19-8-9-20-39(36)45(31-15-5-2-6-16-31)41-25-23-33(27-38(41)44)47-34-22-24-37(43)42(46)28-34/h1-28H
InChIKeyXELZGAMBXWHJRF-UHFFFAOYSA-N
XLogP6.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.39
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene 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

5,11,22,28-tetraphenyl-5,11,22,28-tetraza-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 123463711
12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene
CID 123419959
6,12,26,32-tetraphenyl-6,26,32-triaza-1,12,19-triboradecacyclo[25.11.1.17,11.02,25.03,22.05,20.013,18.031,39.033,38.019,40]tetraconta-2(25),3(22),4,7,9,11(40),13,15,17,20,23,27,29,31(39),33,35,37-heptadecaene
CID 149424149
8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 162505107
5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]
CID 153311869
8,10'-diphenylspiro[1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-14,9'-acridine]
CID 155605491
2,2',8,8'-tetrakis(10-phenylbenzo[b][1,4]benzazaborinin-5-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771901
2,5-bis[4-(10-phenylbenzo[b][1,4]benzazaborinin-5-yl)phenyl]-1,3,4-thiadiazole
CID 161156764
4,8-diphenyl-14-(4-phenylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
CID 169068729
10-phenyl-5-[4-[phenyl-[4-(10-phenylbenzo[b][1,4]benzazaborinin-5-yl)phenyl]phosphoryl]phenyl]benzo[b][1,4]benzazaborinine
CID 158414662
10-(17-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl)-5,5-diphenylphenothiazine
CID 174130737
10-dibenzoselenophen-2-yl-5-phenylbenzo[b][1,4]benzazaborinine
CID 58511431

Frequently Asked Questions

What is the IUPAC name of 14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene?
The IUPAC name of 14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene (CID 149199847) is 14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene.
What is the SMILES notation for 14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene?
The canonical SMILES for 14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene is c1ccc(B2c3ccccc3N3c4cccc(c4)B4c5ccccc5N(c5ccccc5)c5ccc(cc54)Sc4ccc2c3c4)cc1.
What is the InChIKey of 14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene?
The InChIKey is XELZGAMBXWHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28B2N2S/c1-3-12-29(13-4-1)43-35-18-7-10-21-40(35)46-32-17-11-14-30(26-32)44-36-19-8-9-20-39(36)45(31-15-5-2-6-16-31)41-25-23-33(27-38(41)44)47-34-22-24-37(43)42(46)28-34/h1-28H.
What are the key properties of 14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene?
14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene has a molecular weight of 614.39 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene is sourced from PubChem (CID 149199847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).