14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene

C33H24O2P2Se3 — CID 46242237

IUPAC14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene
SMILES[Se]=P1(c2ccccc2)Oc2ccc3ccccc3c2Cc2c(ccc3ccccc23)OP(=[Se])(c2ccccc2)[Se]1
InChIInChI=1S/C33H24O2P2Se3/c38-36(26-13-3-1-4-14-26)34-32-21-19-24-11-7-9-17-28(24)30(32)23-31-29-18-10-8-12-25(29)20-22-33(31)35-37(39,40-36)27-15-5-2-6-16-27/h1-22H,23H2
InChIKeyPJKKFEAPLMBLGG-UHFFFAOYSA-N
MW751.38 g/mol
LogP7.57
Rot. Bonds2

About 14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene

14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene (PubChem CID 46242237) has the molecular formula C33H24O2P2Se3 and a molecular weight of 751.38 g/mol. Its IUPAC name is 14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene.

Molecular Properties

Compound Name14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene
PubChem CID46242237
Molecular FormulaC33H24O2P2Se3
Molecular Weight751.38 g/mol
Exact Mass753.87
IUPAC Name14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene
SMILES[Se]=P1(c2ccccc2)Oc2ccc3ccccc3c2Cc2c(ccc3ccccc23)OP(=[Se])(c2ccccc2)[Se]1
InChIInChI=1S/C33H24O2P2Se3/c38-36(26-13-3-1-4-14-26)34-32-21-19-24-11-7-9-17-28(24)30(32)23-31-29-18-10-8-12-25(29)20-22-33(31)35-37(39,40-36)27-15-5-2-6-16-27/h1-22H,23H2
InChIKeyPJKKFEAPLMBLGG-UHFFFAOYSA-N
XLogP7.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.38
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene 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

CID 177479537
CID 177479537
14-chloro-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene
CID 20820440
12H-benzo[a]xanthene;hydrate
CID 174249358
3,25-dioxa-29,31-dithiaheptacyclo[25.5.1.04,13.07,12.015,24.016,21.030,33]tritriaconta-1(32),4(13),5,7,9,11,15(24),16,18,20,22,27,30(33)-tridecaene
CID 102396441
13-methyl-13-selanylidene-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 122363158
1,2-dihydrobenzo[g][1,2,3]benzotrioxepine
CID 166086128
1,2-dihydrobenzo[e][1]benzofuran;hydrate
CID 118007569
10-(trifluoromethyl)-12H-benzo[a]xanthene
CID 145218465
13-phenyl-12-oxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 102277315
14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene
CID 58610968
13-oxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,10,16,18,20-nonaene-15,22-dione
CID 102343916
2-benzyl-1,2-dihydrobenzo[e][1]benzofuran
CID 13432982

Frequently Asked Questions

What is the IUPAC name of 14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene?
The IUPAC name of 14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene (CID 46242237) is 14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene.
What is the SMILES notation for 14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene?
The canonical SMILES for 14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene is [Se]=P1(c2ccccc2)Oc2ccc3ccccc3c2Cc2c(ccc3ccccc23)OP(=[Se])(c2ccccc2)[Se]1.
What is the InChIKey of 14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene?
The InChIKey is PJKKFEAPLMBLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O2P2Se3/c38-36(26-13-3-1-4-14-26)34-32-21-19-24-11-7-9-17-28(24)30(32)23-31-29-18-10-8-12-25(29)20-22-33(31)35-37(39,40-36)27-15-5-2-6-16-27/h1-22H,23H2.
What are the key properties of 14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene?
14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene has a molecular weight of 751.38 g/mol, XLogP of 7.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,16-diphenyl-14,16-bis(selanylidene)-13,17-dioxa-15-selena-14λ5,16λ5-diphosphapentacyclo[16.8.0.03,12.04,9.021,26]hexacosa-1(18),3(12),4,6,8,10,19,21,23,25-decaene is sourced from PubChem (CID 46242237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).