N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine

C66H52N2OSi — CID 140756963

About N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine

N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine (PubChem CID 140756963) has the molecular formula C66H52N2OSi and a molecular weight of 917.24 g/mol. Its IUPAC name is N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine
• PubChem CID: 140756963
• Molecular Formula: C66H52N2OSi
• Molecular Weight: 917.24 g/mol
• Exact Mass: 916.38
• IUPAC Name: N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine
• SMILES: Cc1c(C)c(N(c2ccccc2)c2ccccc2)c(C)c(C)c1-c1cc2c3cccc4c3c(cc2c2ccccc12)-c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1[Si]4(C)C
• InChI: InChI=1S/C66H52N2OSi/c1-41-43(3)65(68(46-24-12-8-13-25-46)47-26-14-9-15-27-47)44(4)42(2)63(41)57-40-56-53-31-21-35-61-64(53)58(39-55(56)49-28-16-17-29-50(49)57)52-37-36-48(38-62(52)70(61,5)6)67(45-22-10-7-11-23-45)59-33-20-32-54-51-30-18-19-34-60(51)69-66(54)59/h7-40H,1-6H3
• InChIKey: CTCQYHFIBBHYSE-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.24
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine?

The IUPAC name of N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine (CID 140756963) is N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine.

What is the SMILES notation for N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine?

The canonical SMILES for N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine is Cc1c(C)c(N(c2ccccc2)c2ccccc2)c(C)c(C)c1-c1cc2c3cccc4c3c(cc2c2ccccc12)-c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1[Si]4(C)C.

What is the InChIKey of N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine?

The InChIKey is CTCQYHFIBBHYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N2OSi/c1-41-43(3)65(68(46-24-12-8-13-25-46)47-26-14-9-15-27-47)44(4)42(2)63(41)57-40-56-53-31-21-35-61-64(53)58(39-55(56)49-28-16-17-29-50(49)57)52-37-36-48(38-62(52)70(61,5)6)67(45-22-10-7-11-23-45)59-33-20-32-54-51-30-18-19-34-60(51)69-66(54)59/h7-40H,1-6H3.

What are the key properties of N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine?

N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine has a molecular weight of 917.24 g/mol, XLogP of 17.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[20,20-dimethyl-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)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-17-yl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 140756963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).