6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene

C48H30N2OSe2 — CID 10771686

IUPAC6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc(o1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([se]3)c3ccc([se]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C48H30N2OSe2/c1-5-13-31(14-6-1)45-35-21-23-37(49-35)47(33-17-9-3-10-18-33)43-29-27-41(52-43)42-28-30-44(53-42)48(34-19-11-4-12-20-34)38-24-22-36(50-38)46(32-15-7-2-8-16-32)40-26-25-39(45)51-40/h1-30H/b42-41-,45-35-,45-39-,46-36-,46-40-,47-37-,47-43-,48-38-,48-44-
InChIKeyLSVGUPBEUJRGPC-HNVAHYAYSA-N
MW808.70 g/mol
LogP12.09
Rot. Bonds4

About 6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene

6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene (PubChem CID 10771686) has the molecular formula C48H30N2OSe2 and a molecular weight of 808.70 g/mol. Its IUPAC name is 6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene.

Molecular Properties

Compound Name6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene
PubChem CID10771686
Molecular FormulaC48H30N2OSe2
Molecular Weight808.70 g/mol
Exact Mass810.07
IUPAC Name6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc(o1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([se]3)c3ccc([se]3)c2-c2ccccc2)C=C1
InChIInChI=1S/C48H30N2OSe2/c1-5-13-31(14-6-1)45-35-21-23-37(49-35)47(33-17-9-3-10-18-33)43-29-27-41(52-43)42-28-30-44(53-42)48(34-19-11-4-12-20-34)38-24-22-36(50-38)46(32-15-7-2-8-16-32)40-26-25-39(45)51-40/h1-30H/b42-41-,45-35-,45-39-,46-36-,46-40-,47-37-,47-43-,48-38-,48-44-
InChIKeyLSVGUPBEUJRGPC-HNVAHYAYSA-N
XLogP12.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.70
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene 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

9-[(2E,4E)-4-dibenzofuran-4-yl-6-[2-[(Z)-3-fluoroprop-1-enyl]-3-methylindol-1-yl]hepta-2,4,6-trien-2-yl]carbazole
CID 134240267
zinc bis((5E)-2-phenyl-5-[2,2,2-trifluoro-1-(2-phenylfuro[3,2-b]pyrrol-4-id-5-yl)ethylidene]furo[3,2-b]pyrrole)
CID 164594903
8-Dibenzofuran-2-yl-2-fluoro-4,6,10,12-tetraphenyl-3-aza-1-azonia-2-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
CID 174076606
5,10,15,20-Tetraphenyl-21-oxaporphyrin
CID 15344563
5,10,15,20-Tetraphenyl-21,23-dioxaporphyrin
CID 15386884
7-(4-Azidophenyl)-2,12,17-tris(4-methylphenyl)-21-oxa-23-thia-22,24-diazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene
CID 46184794
21,23-Dioxaporphyrin
CID 86036928
(e)-2-Phenyl-4-styrylfuro[3,2-c]quinoline
CID 101899781
Tetraphenyl-21,23-dioxaporphyrin
CID 129852839
CID 139134161
CID 139134161
7,22-Bis(2,3,4,5,6-pentafluorophenyl)-2,12,17,27-tetrakis(2,4,6-trimethylphenyl)-31,34-dioxa-32,33,35,36-tetrazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16,18(33),19,21,23(32),24,26,28-heptadecaene
CID 16186839
6-(2,3,4,5,6-Pentafluorophenyl)-15,20-diphenyl-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene
CID 101051656

Frequently Asked Questions

What is the IUPAC name of 6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene?
The IUPAC name of 6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene (CID 10771686) is 6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene.
What is the SMILES notation for 6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene?
The canonical SMILES for 6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene is C1=Cc2nc1c(-c1ccccc1)c1ccc(o1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([se]3)c3ccc([se]3)c2-c2ccccc2)C=C1.
What is the InChIKey of 6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene?
The InChIKey is LSVGUPBEUJRGPC-HNVAHYAYSA-N. The full InChI is InChI=1S/C48H30N2OSe2/c1-5-13-31(14-6-1)45-35-21-23-37(49-35)47(33-17-9-3-10-18-33)43-29-27-41(52-43)42-28-30-44(53-42)48(34-19-11-4-12-20-34)38-24-22-36(50-38)46(32-15-7-2-8-16-32)40-26-25-39(45)51-40/h1-30H/b42-41-,45-35-,45-39-,46-36-,46-40-,47-37-,47-43-,48-38-,48-44-.
What are the key properties of 6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene?
6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene has a molecular weight of 808.70 g/mol, XLogP of 12.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11,16,21-tetraphenyl-27-oxa-25,29-diselena-26,28-diazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(24),2,4,6,8,10(28),11,13,15,17(26),18,20,22-tridecaene is sourced from PubChem (CID 10771686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).