1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

C36H24Cl2N3Sb — CID 140848785

IUPAC1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESCl[Sb]12(Cl)c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)N4c1ccccc1
InChIInChI=1S/C36H24N3.2ClH.Sb/c1-4-13-28(14-5-1)37-31-19-10-21-33(25-31)38(29-15-6-2-7-16-29)35-23-12-24-36(27-35)39(30-17-8-3-9-18-30)34-22-11-20-32(37)26-34;;;/h1-24H;2*1H;/q;;;+2/p-2
InChIKeyLIAPFLPLZVLSQP-UHFFFAOYSA-L
MW691.28 g/mol
LogP8.93
Rot. Bonds3

About 1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 140848785) has the molecular formula C36H24Cl2N3Sb and a molecular weight of 691.28 g/mol. Its IUPAC name is 1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
PubChem CID140848785
Molecular FormulaC36H24Cl2N3Sb
Molecular Weight691.28 g/mol
Exact Mass689.04
IUPAC Name1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESCl[Sb]12(Cl)c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)N4c1ccccc1
InChIInChI=1S/C36H24N3.2ClH.Sb/c1-4-13-28(14-5-1)37-31-19-10-21-33(25-31)38(29-15-6-2-7-16-29)35-23-12-24-36(27-35)39(30-17-8-3-9-18-30)34-22-11-20-32(37)26-34;;;/h1-24H;2*1H;/q;;;+2/p-2
InChIKeyLIAPFLPLZVLSQP-UHFFFAOYSA-L
XLogP8.93
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.28
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene with MolForge

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Related Compounds

1,1-dimethyl-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849166
1,1-difluoro-22-phenyl-8,14-dioxa-22-aza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140848779
1,1-dimethyl-22-phenyl-8,14-dioxa-22-aza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140848985
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 59838794
11-phenylbenzo[b][1]benzazepine
CID 11514559
1,1,8,14,22-pentakis-phenyl-8,14,22-triaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140848680
14,22-diphenyl-8-oxa-14,22-diaza-1-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140849245
5-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-10-phenylphenazine
CID 153293260
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
5,5-dimethyl-10-phenylphenothiazine
CID 130452501
2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 122432558
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 140848785) is 1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is Cl[Sb]12(Cl)c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)N4c1ccccc1.
What is the InChIKey of 1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The InChIKey is LIAPFLPLZVLSQP-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H24N3.2ClH.Sb/c1-4-13-28(14-5-1)37-31-19-10-21-33(25-31)38(29-15-6-2-7-16-29)35-23-12-24-36(27-35)39(30-17-8-3-9-18-30)34-22-11-20-32(37)26-34;;;/h1-24H;2*1H;/q;;;+2/p-2.
What are the key properties of 1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 691.28 g/mol, XLogP of 8.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-8,14,22-triphenyl-8,14,22-triaza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 140848785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).