8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

C66H36N3O3Sb — CID 140849216

IUPAC8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESc1cc2c3c(c1)N(c1ccc4oc5cc6ccccc6cc5c4c1)c1cccc4c1[Sb]3c1c(cccc1N4c1ccc3oc4cc5ccccc5cc4c3c1)N2c1ccc2oc3cc4ccccc4cc3c2c1
InChIInChI=1S/C66H36N3O3.Sb/c1-4-13-43-31-64-55(28-40(43)10-1)58-37-52(22-25-61(58)70-64)67-46-16-7-18-48(34-46)68(53-23-26-62-59(38-53)56-29-41-11-2-5-14-44(41)32-65(56)71-62)50-20-9-21-51(36-50)69(49-19-8-17-47(67)35-49)54-24-27-63-60(39-54)57-30-42-12-3-6-15-45(42)33-66(57)72-63;/h1-33,37-39H;
InChIKeyIRPPQLLWTSNRDP-UHFFFAOYSA-N
MW1040.79 g/mol
LogP16.71
Rot. Bonds3

About 8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-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 140849216) has the molecular formula C66H36N3O3Sb and a molecular weight of 1040.79 g/mol. Its IUPAC name is 8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-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 Name8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-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 CID140849216
Molecular FormulaC66H36N3O3Sb
Molecular Weight1040.79 g/mol
Exact Mass1039.18
IUPAC Name8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESc1cc2c3c(c1)N(c1ccc4oc5cc6ccccc6cc5c4c1)c1cccc4c1[Sb]3c1c(cccc1N4c1ccc3oc4cc5ccccc5cc4c3c1)N2c1ccc2oc3cc4ccccc4cc3c2c1
InChIInChI=1S/C66H36N3O3.Sb/c1-4-13-43-31-64-55(28-40(43)10-1)58-37-52(22-25-61(58)70-64)67-46-16-7-18-48(34-46)68(53-23-26-62-59(38-53)56-29-41-11-2-5-14-44(41)32-65(56)71-62)50-20-9-21-51(36-50)69(49-19-8-17-47(67)35-49)54-24-27-63-60(39-54)57-30-42-12-3-6-15-45(42)33-66(57)72-63;/h1-33,37-39H;
InChIKeyIRPPQLLWTSNRDP-UHFFFAOYSA-N
XLogP16.71
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001040.79
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-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

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

Launch Full Analysis

Related Compounds

5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine
CID 59146950
1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene
CID 140848683
10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide
CID 134317343
8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene
CID 164714058
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
5-methyl-10-[18-(10-methylphenazin-5-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]phenazine
CID 59146951
12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene
CID 146213059
14-dibenzofuran-2-yl-8-thia-1,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443231
7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651818
8,14-bis(naphtho[1,2-b][1]benzofuran-8-yl)-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 153317348
N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine
CID 164811782
2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione
CID 164765277

Frequently Asked Questions

What is the IUPAC name of 8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-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 8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-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 140849216) is 8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-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 8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-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 8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-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 c1cc2c3c(c1)N(c1ccc4oc5cc6ccccc6cc5c4c1)c1cccc4c1[Sb]3c1c(cccc1N4c1ccc3oc4cc5ccccc5cc4c3c1)N2c1ccc2oc3cc4ccccc4cc3c2c1.
What is the InChIKey of 8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-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 IRPPQLLWTSNRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H36N3O3.Sb/c1-4-13-43-31-64-55(28-40(43)10-1)58-37-52(22-25-61(58)70-64)67-46-16-7-18-48(34-46)68(53-23-26-62-59(38-53)56-29-41-11-2-5-14-44(41)32-65(56)71-62)50-20-9-21-51(36-50)69(49-19-8-17-47(67)35-49)54-24-27-63-60(39-54)57-30-42-12-3-6-15-45(42)33-66(57)72-63;/h1-33,37-39H;.
What are the key properties of 8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-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 1040.79 g/mol, XLogP of 16.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-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 140849216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).