N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine

C110H74N2O2Si2 — CID 159980440

About N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 159980440) has the molecular formula C110H74N2O2Si2 and a molecular weight of 1511.99 g/mol. Its IUPAC name is N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine
• PubChem CID: 159980440
• Molecular Formula: C110H74N2O2Si2
• Molecular Weight: 1511.99 g/mol
• Exact Mass: 1510.53
• IUPAC Name: N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5c(-c6cccc7c6Oc6ccccc6[Si]7(c6ccccc6)c6ccc7cc(N(c8ccc(-c9cccc%10ccccc9%10)cc8)c8cccc9ccccc89)ccc7c6)cccc45)cc3)c3ccc4cc([Si]5(c6ccccc6)c6ccccc6Oc6ccccc65)ccc4c3)cc2)cc1
• InChI: InChI=1S/C110H74N2O2Si2/c1-4-25-75(26-5-1)76-51-61-85(62-52-76)111(88-67-57-83-73-92(69-59-81(83)71-88)115(90-31-6-2-7-32-90)106-47-17-14-44-103(106)113-104-45-15-18-48-107(104)115)86-63-53-80(54-64-86)96-38-22-40-99-98(96)39-23-41-100(99)101-42-24-50-109-110(101)114-105-46-16-19-49-108(105)116(109,91-33-8-3-9-34-91)93-70-60-82-72-89(68-58-84(82)74-93)112(102-43-21-30-78-28-11-13-36-97(78)102)87-65-55-79(56-66-87)95-37-20-29-77-27-10-12-35-94(77)95/h1-74H
• InChIKey: OFRSAWJBQHCCPI-UHFFFAOYSA-N
• XLogP: 24.03
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1511.99
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine?

The IUPAC name of N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine (CID 159980440) is N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine.

What is the SMILES notation for N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine?

The canonical SMILES for N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c(-c6cccc7c6Oc6ccccc6[Si]7(c6ccccc6)c6ccc7cc(N(c8ccc(-c9cccc%10ccccc9%10)cc8)c8cccc9ccccc89)ccc7c6)cccc45)cc3)c3ccc4cc([Si]5(c6ccccc6)c6ccccc6Oc6ccccc65)ccc4c3)cc2)cc1.

What is the InChIKey of N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine?

The InChIKey is OFRSAWJBQHCCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H74N2O2Si2/c1-4-25-75(26-5-1)76-51-61-85(62-52-76)111(88-67-57-83-73-92(69-59-81(83)71-88)115(90-31-6-2-7-32-90)106-47-17-14-44-103(106)113-104-45-15-18-48-107(104)115)86-63-53-80(54-64-86)96-38-22-40-99-98(96)39-23-41-100(99)101-42-24-50-109-110(101)114-105-46-16-19-49-108(105)116(109,91-33-8-3-9-34-91)93-70-60-82-72-89(68-58-84(82)74-93)112(102-43-21-30-78-28-11-13-36-97(78)102)87-65-55-79(56-66-87)95-37-20-29-77-27-10-12-35-94(77)95/h1-74H.

What are the key properties of N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine?

N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 1511.99 g/mol, XLogP of 24.03, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 159980440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).