N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine

C76H46N2O2S2Si — CID 149030826

About N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine

N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine (PubChem CID 149030826) has the molecular formula C76H46N2O2S2Si and a molecular weight of 1111.44 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine
• PubChem CID: 149030826
• Molecular Formula: C76H46N2O2S2Si
• Molecular Weight: 1111.44 g/mol
• Exact Mass: 1110.28
• IUPAC Name: N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine
• SMILES: c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)sc3ccccc34)(c3ccc4c(c3)sc3ccccc34)c3cc4oc5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7oc8ccccc8c7c6)ccc5c4cc32)cc1
• InChI: InChI=1S/C76H46N2O2S2Si/c1-2-17-49(18-3-1)78-65-24-9-13-28-75(65)83(53-35-38-61-59-21-7-11-26-71(59)81-73(61)43-53,54-36-39-62-60-22-8-12-27-72(60)82-74(62)44-54)76-46-70-64(45-66(76)78)58-37-33-52(42-69(58)80-70)77(51-34-40-68-63(41-51)57-20-6-10-25-67(57)79-68)50-31-29-48(30-32-50)56-23-14-16-47-15-4-5-19-55(47)56/h1-46H
• InChIKey: QFKCUTWGTJXJHS-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 32.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1111.44
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine?

The IUPAC name of N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine (CID 149030826) is N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine.

What is the SMILES notation for N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine?

The canonical SMILES for N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine is c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)sc3ccccc34)(c3ccc4c(c3)sc3ccccc34)c3cc4oc5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7oc8ccccc8c7c6)ccc5c4cc32)cc1.

What is the InChIKey of N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine?

The InChIKey is QFKCUTWGTJXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N2O2S2Si/c1-2-17-49(18-3-1)78-65-24-9-13-28-75(65)83(53-35-38-61-59-21-7-11-26-71(59)81-73(61)43-53,54-36-39-62-60-22-8-12-27-72(60)82-74(62)44-54)76-46-70-64(45-66(76)78)58-37-33-52(42-69(58)80-70)77(51-34-40-68-63(41-51)57-20-6-10-25-67(57)79-68)50-31-29-48(30-32-50)56-23-14-16-47-15-4-5-19-55(47)56/h1-46H.

What are the key properties of N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine?

N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine has a molecular weight of 1111.44 g/mol, XLogP of 19.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-2-yl-14,14-di(dibenzothiophen-3-yl)-N-(4-naphthalen-1-ylphenyl)-21-phenyl-10-oxa-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-amine is sourced from PubChem (CID 149030826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).