N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

About N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (PubChem CID 164937720) has the molecular formula C48H33NO2Si and a molecular weight of 683.88 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

Molecular Properties

Compound Name	N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
PubChem CID	164937720
Molecular Formula	C48H33NO2Si
Molecular Weight	683.88 g/mol
Exact Mass	683.23
IUPAC Name	N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
SMILES	C[Si]1(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3oc3ccccc34)ccc2-c2c1ccc1oc3ccccc3c21
InChI	InChI=1S/C48H33NO2Si/c1-52(2)44-28-27-43-46(38-15-6-8-20-42(38)50-43)47(44)39-26-25-33(29-45(39)52)49(40-18-10-17-37-36-14-5-7-19-41(36)51-48(37)40)32-23-21-31(22-24-32)35-16-9-12-30-11-3-4-13-34(30)35/h3-29H,1-2H3
InChIKey	IHGXLGSDFZTTEQ-UHFFFAOYSA-N
XLogP	12.58
TPSA	29.52 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	52
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.88
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The IUPAC name of N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (CID 164937720) is N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The canonical SMILES for N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is C[Si]1(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3oc3ccccc34)ccc2-c2c1ccc1oc3ccccc3c21.

What is the InChIKey of N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

The InChIKey is IHGXLGSDFZTTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO2Si/c1-52(2)44-28-27-43-46(38-15-6-8-20-42(38)50-43)47(44)39-26-25-33(29-45(39)52)49(40-18-10-17-37-36-14-5-7-19-41(36)51-48(37)40)32-23-21-31(22-24-32)35-16-9-12-30-11-3-4-13-34(30)35/h3-29H,1-2H3.

What are the key properties of N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?

N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine has a molecular weight of 683.88 g/mol, XLogP of 12.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is sourced from PubChem (CID 164937720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).