N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine

C74H50N2O2Si — CID 140757189

About N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine

N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 140757189) has the molecular formula C74H50N2O2Si and a molecular weight of 1027.31 g/mol. Its IUPAC name is N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
• PubChem CID: 140757189
• Molecular Formula: C74H50N2O2Si
• Molecular Weight: 1027.31 g/mol
• Exact Mass: 1026.36
• IUPAC Name: N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
• SMILES: C[Si]1(C)c2cc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)cc3)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23
• InChI: InChI=1S/C74H50N2O2Si/c1-79(2)70-37-19-29-58-62-46-67(76(50-22-7-4-8-23-50)66-34-18-31-60-56-28-13-16-36-69(56)78-74(60)66)54-26-10-9-25-53(54)61(62)45-63(72(58)70)57-43-40-49(44-71(57)79)47-38-41-51(42-39-47)75(64-32-14-11-24-52(64)48-20-5-3-6-21-48)65-33-17-30-59-55-27-12-15-35-68(55)77-73(59)65/h3-46H,1-2H3
• InChIKey: ILHNNAJUUGCVJF-UHFFFAOYSA-N
• XLogP: 20.02
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.31
LogP ≤ 5	20.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?

The IUPAC name of N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine (CID 140757189) is N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine.

What is the SMILES notation for N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?

The canonical SMILES for N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine is C[Si]1(C)c2cc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)cc3)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3cccc1c23.

What is the InChIKey of N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?

The InChIKey is ILHNNAJUUGCVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2O2Si/c1-79(2)70-37-19-29-58-62-46-67(76(50-22-7-4-8-23-50)66-34-18-31-60-56-28-13-16-36-69(56)78-74(60)66)54-26-10-9-25-53(54)61(62)45-63(72(58)70)57-43-40-49(44-71(57)79)47-38-41-51(42-39-47)75(64-32-14-11-24-52(64)48-20-5-3-6-21-48)65-33-17-30-59-55-27-12-15-35-68(55)77-73(59)65/h3-46H,1-2H3.

What are the key properties of N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine?

N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 1027.31 g/mol, XLogP of 20.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-dibenzofuran-4-ylanilino)-20,20-dimethyl-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]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 140757189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).