N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline

C62H50N2Si2 — CID 59182712

About N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline

N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline (PubChem CID 59182712) has the molecular formula C62H50N2Si2 and a molecular weight of 879.27 g/mol. Its IUPAC name is N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline
• PubChem CID: 59182712
• Molecular Formula: C62H50N2Si2
• Molecular Weight: 879.27 g/mol
• Exact Mass: 878.35
• IUPAC Name: N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline
• SMILES: C[Si]1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2c1ccc1c3c(ccc21)[Si](C)(C)c1cc(-c2ccc(N(c4ccccc4)c4ccccc4)cc2)ccc1-3
• InChI: InChI=1S/C62H50N2Si2/c1-65(2)57-39-37-54-53(61(57)55-35-29-45(41-59(55)65)43-25-31-51(32-26-43)63(47-17-9-5-10-18-47)48-19-11-6-12-20-48)38-40-58-62(54)56-36-30-46(42-60(56)66(58,3)4)44-27-33-52(34-28-44)64(49-21-13-7-14-22-49)50-23-15-8-16-24-50/h5-42H,1-4H3
• InChIKey: LRQCDUUAYFUJMW-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.27
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline?

The IUPAC name of N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline (CID 59182712) is N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline.

What is the SMILES notation for N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline?

The canonical SMILES for N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline is C[Si]1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2c1ccc1c3c(ccc21)[Si](C)(C)c1cc(-c2ccc(N(c4ccccc4)c4ccccc4)cc2)ccc1-3.

What is the InChIKey of N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline?

The InChIKey is LRQCDUUAYFUJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N2Si2/c1-65(2)57-39-37-54-53(61(57)55-35-29-45(41-59(55)65)43-25-31-51(32-26-43)63(47-17-9-5-10-18-47)48-19-11-6-12-20-48)38-40-58-62(54)56-36-30-46(42-60(56)66(58,3)4)44-27-33-52(34-28-44)64(49-21-13-7-14-22-49)50-23-15-8-16-24-50/h5-42H,1-4H3.

What are the key properties of N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline?

N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline has a molecular weight of 879.27 g/mol, XLogP of 14.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[9,9,21,21-tetramethyl-18-[4-(N-phenylanilino)phenyl]-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]aniline is sourced from PubChem (CID 59182712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).