11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine

C54H42N2Si2 — CID 59181668

IUPAC11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine
SMILESC[Si]1(C)c2cc(N3c4ccccc4C=Cc4ccccc43)ccc2-c2c1c1c(c3ccccc23)-c2ccc(N3c4ccccc4C=Cc4ccccc43)cc2[Si]1(C)C
InChIInChI=1S/C54H42N2Si2/c1-57(2)49-33-39(55-45-21-11-5-15-35(45)25-26-36-16-6-12-22-46(36)55)29-31-43(49)51-41-19-9-10-20-42(41)52-44-32-30-40(34-50(44)58(3,4)54(52)53(51)57)56-47-23-13-7-17-37(47)27-28-38-18-8-14-24-48(38)56/h5-34H,1-4H3
InChIKeyGUFUHSLXNKQGDH-UHFFFAOYSA-N
MW775.12 g/mol
LogP12.35
Rot. Bonds2

About 11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine

11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine (PubChem CID 59181668) has the molecular formula C54H42N2Si2 and a molecular weight of 775.12 g/mol. Its IUPAC name is 11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine.

Molecular Properties

Compound Name11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine
PubChem CID59181668
Molecular FormulaC54H42N2Si2
Molecular Weight775.12 g/mol
Exact Mass774.29
IUPAC Name11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine
SMILESC[Si]1(C)c2cc(N3c4ccccc4C=Cc4ccccc43)ccc2-c2c1c1c(c3ccccc23)-c2ccc(N3c4ccccc4C=Cc4ccccc43)cc2[Si]1(C)C
InChIInChI=1S/C54H42N2Si2/c1-57(2)49-33-39(55-45-21-11-5-15-35(45)25-26-36-16-6-12-22-46(36)55)29-31-43(49)51-41-19-9-10-20-42(41)52-44-32-30-40(34-50(44)58(3,4)54(52)53(51)57)56-47-23-13-7-17-37(47)27-28-38-18-8-14-24-48(38)56/h5-34H,1-4H3
InChIKeyGUFUHSLXNKQGDH-UHFFFAOYSA-N
XLogP12.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.12
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine?
The IUPAC name of 11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine (CID 59181668) is 11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine.
What is the SMILES notation for 11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine?
The canonical SMILES for 11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine is C[Si]1(C)c2cc(N3c4ccccc4C=Cc4ccccc43)ccc2-c2c1c1c(c3ccccc23)-c2ccc(N3c4ccccc4C=Cc4ccccc43)cc2[Si]1(C)C.
What is the InChIKey of 11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine?
The InChIKey is GUFUHSLXNKQGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2Si2/c1-57(2)49-33-39(55-45-21-11-5-15-35(45)25-26-36-16-6-12-22-46(36)55)29-31-43(49)51-41-19-9-10-20-42(41)52-44-32-30-40(34-50(44)58(3,4)54(52)53(51)57)56-47-23-13-7-17-37(47)27-28-38-18-8-14-24-48(38)56/h5-34H,1-4H3.
What are the key properties of 11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine?
11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine has a molecular weight of 775.12 g/mol, XLogP of 12.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(21-benzo[b][1]benzazepin-11-yl-3,3,24,24-tetramethyl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)benzo[b][1]benzazepine is sourced from PubChem (CID 59181668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).