20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine

C80H58N2Si — CID 140757004

About 20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine

20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine (PubChem CID 140757004) has the molecular formula C80H58N2Si and a molecular weight of 1075.44 g/mol. Its IUPAC name is 20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine.

Molecular Properties

• Compound Name: 20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine
• PubChem CID: 140757004
• Molecular Formula: C80H58N2Si
• Molecular Weight: 1075.44 g/mol
• Exact Mass: 1074.44
• IUPAC Name: 20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine
• SMILES: C[Si]1(C)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2cc3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3c3cccc1c23
• InChI: InChI=1S/C80H58N2Si/c1-83(2)78-29-17-28-73-75-54-77(82(68-47-34-61(35-48-68)57-22-11-5-12-23-57)69-49-36-62(37-50-69)58-24-13-6-14-25-58)71-27-16-15-26-70(71)74(75)53-76(80(73)78)72-51-40-64(52-79(72)83)63-38-45-67(46-39-63)81(65-41-30-59(31-42-65)55-18-7-3-8-19-55)66-43-32-60(33-44-66)56-20-9-4-10-21-56/h3-54H,1-2H3
• InChIKey: FDFLCSVKFMDYRC-UHFFFAOYSA-N
• XLogP: 21.22
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1075.44
LogP ≤ 5	21.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine?

The IUPAC name of 20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine (CID 140757004) is 20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine.

What is the SMILES notation for 20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine?

The canonical SMILES for 20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine is C[Si]1(C)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2cc3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3c3cccc1c23.

What is the InChIKey of 20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine?

The InChIKey is FDFLCSVKFMDYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H58N2Si/c1-83(2)78-29-17-28-73-75-54-77(82(68-47-34-61(35-48-68)57-22-11-5-12-23-57)69-49-36-62(37-50-69)58-24-13-6-14-25-58)71-27-16-15-26-70(71)74(75)53-76(80(73)78)72-51-40-64(52-79(72)83)63-38-45-67(46-39-63)81(65-41-30-59(31-42-65)55-18-7-3-8-19-55)66-43-32-60(33-44-66)56-20-9-4-10-21-56/h3-54H,1-2H3.

What are the key properties of 20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine?

20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine has a molecular weight of 1075.44 g/mol, XLogP of 21.22, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 20,20-dimethyl-N,N-bis(4-phenylphenyl)-17-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine is sourced from PubChem (CID 140757004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).