N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine

C70H50N2Si — CID 140757152

About N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 140757152) has the molecular formula C70H50N2Si and a molecular weight of 947.27 g/mol. Its IUPAC name is N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 140757152
• Molecular Formula: C70H50N2Si
• Molecular Weight: 947.27 g/mol
• Exact Mass: 946.37
• IUPAC Name: N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine
• SMILES: C[Si]1(C)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc2-c2cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3c3cccc1c23
• InChI: InChI=1S/C70H50N2Si/c1-73(2)68-33-17-30-61-64-45-62(50-36-41-55(42-37-50)72(53-24-7-4-8-25-53)67-32-16-21-49-19-10-12-27-57(49)67)58-28-13-14-29-59(58)63(64)46-65(70(61)68)60-43-38-51(44-69(60)73)47-34-39-54(40-35-47)71(52-22-5-3-6-23-52)66-31-15-20-48-18-9-11-26-56(48)66/h3-46H,1-2H3
• InChIKey: YPKXCAQLWKJHIA-UHFFFAOYSA-N
• XLogP: 18.53
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.27
LogP ≤ 5	18.53
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 N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine (CID 140757152) is N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine is C[Si]1(C)c2cc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc2-c2cc3c4ccccc4c(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3c3cccc1c23.

What is the InChIKey of N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine?

The InChIKey is YPKXCAQLWKJHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N2Si/c1-73(2)68-33-17-30-61-64-45-62(50-36-41-55(42-37-50)72(53-24-7-4-8-25-53)67-32-16-21-49-19-10-12-27-57(49)67)58-28-13-14-29-59(58)63(64)46-65(70(61)68)60-43-38-51(44-69(60)73)47-34-39-54(40-35-47)71(52-22-5-3-6-23-52)66-31-15-20-48-18-9-11-26-56(48)66/h3-46H,1-2H3.

What are the key properties of N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine?

N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 947.27 g/mol, XLogP of 18.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[20,20-dimethyl-4-[4-(N-naphthalen-1-ylanilino)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]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 140757152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).