4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline

C62H58N2Si — CID 140757042

About 4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline

4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline (PubChem CID 140757042) has the molecular formula C62H58N2Si and a molecular weight of 859.25 g/mol. Its IUPAC name is 4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline
• PubChem CID: 140757042
• Molecular Formula: C62H58N2Si
• Molecular Weight: 859.25 g/mol
• Exact Mass: 858.44
• IUPAC Name: 4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline
• SMILES: Cc1c(C)c(N(c2ccccc2)c2ccccc2)c(C)c(C)c1-c1ccc2c(c1)[Si](C)(C)c1cccc3c(-c4c(C)c(C)c(N(c5ccccc5)c5ccccc5)c(C)c4C)ccc-2c13
• InChI: InChI=1S/C62H58N2Si/c1-39-43(5)61(63(48-24-15-11-16-25-48)49-26-17-12-18-27-49)44(6)40(2)58(39)47-34-35-52-54-36-37-55(53-32-23-33-56(60(53)54)65(9,10)57(52)38-47)59-41(3)45(7)62(46(8)42(59)4)64(50-28-19-13-20-29-50)51-30-21-14-22-31-51/h11-38H,1-10H3
• InChIKey: DLYAGUOOGDCQKH-UHFFFAOYSA-N
• XLogP: 16.38
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.25
LogP ≤ 5	16.38
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 4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline?

The IUPAC name of 4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline (CID 140757042) is 4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline.

What is the SMILES notation for 4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline?

The canonical SMILES for 4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline is Cc1c(C)c(N(c2ccccc2)c2ccccc2)c(C)c(C)c1-c1ccc2c(c1)[Si](C)(C)c1cccc3c(-c4c(C)c(C)c(N(c5ccccc5)c5ccccc5)c(C)c4C)ccc-2c13.

What is the InChIKey of 4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline?

The InChIKey is DLYAGUOOGDCQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H58N2Si/c1-39-43(5)61(63(48-24-15-11-16-25-48)49-26-17-12-18-27-49)44(6)40(2)58(39)47-34-35-52-54-36-37-55(53-32-23-33-56(60(53)54)65(9,10)57(52)38-47)59-41(3)45(7)62(46(8)42(59)4)64(50-28-19-13-20-29-50)51-30-21-14-22-31-51/h11-38H,1-10H3.

What are the key properties of 4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline?

4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline has a molecular weight of 859.25 g/mol, XLogP of 16.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8,8-dimethyl-14-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-yl]-2,3,5,6-tetramethyl-N,N-diphenylaniline is sourced from PubChem (CID 140757042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).