14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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

C48H35NOSi — CID 164937634

IUPAC14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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
SMILESC[Si]1(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4ccccc4)c3)ccc2-c2c1ccc1oc3ccccc3c21
InChIInChI=1S/C48H35NOSi/c1-51(2)45-29-28-44-47(41-19-8-9-21-43(41)50-44)48(45)42-27-26-38(31-46(42)51)49(37-17-10-16-35(30-37)32-12-4-3-5-13-32)36-24-22-34(23-25-36)40-20-11-15-33-14-6-7-18-39(33)40/h3-31H,1-2H3
InChIKeyFVJGVDBBNQMVKO-UHFFFAOYSA-N
MW669.90 g/mol
LogP12.35
Rot. Bonds5

About 14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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

14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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 164937634) has the molecular formula C48H35NOSi and a molecular weight of 669.90 g/mol. Its IUPAC name is 14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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 Name14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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 CID164937634
Molecular FormulaC48H35NOSi
Molecular Weight669.90 g/mol
Exact Mass669.25
IUPAC Name14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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
SMILESC[Si]1(C)c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4ccccc4)c3)ccc2-c2c1ccc1oc3ccccc3c21
InChIInChI=1S/C48H35NOSi/c1-51(2)45-29-28-44-47(41-19-8-9-21-43(41)50-44)48(45)42-27-26-38(31-46(42)51)49(37-17-10-16-35(30-37)32-12-4-3-5-13-32)36-24-22-34(23-25-36)40-20-11-15-33-14-6-7-18-39(33)40/h3-31H,1-2H3
InChIKeyFVJGVDBBNQMVKO-UHFFFAOYSA-N
XLogP12.35
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.90
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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 with MolForge

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Related Compounds

N-dibenzofuran-2-yl-14,14-dimethyl-N-(3-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 164937696
N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-14,14-dimethyl-N-(3-naphthalen-2-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 164937716
14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-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 164937679
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
14,14-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-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-16-amine
CID 164937662
N-dibenzothiophen-4-yl-14,14-dimethyl-N-(3-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 164937554
N-(14,14-dimethyl-9-thia-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-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 164937727
3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170535389
14,14-dimethyl-N-naphtho[1,2-b][1]benzofuran-1-yl-N-phenyl-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 164937671
N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-3-phenylaniline
CID 134392877
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,4-diphenylaniline
CID 170541898
N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
CID 168768982

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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 14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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 164937634) is 14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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 14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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 14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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)c3cccc(-c4ccccc4)c3)ccc2-c2c1ccc1oc3ccccc3c21.
What is the InChIKey of 14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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 FVJGVDBBNQMVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NOSi/c1-51(2)45-29-28-44-47(41-19-8-9-21-43(41)50-44)48(45)42-27-26-38(31-46(42)51)49(37-17-10-16-35(30-37)32-12-4-3-5-13-32)36-24-22-34(23-25-36)40-20-11-15-33-14-6-7-18-39(33)40/h3-31H,1-2H3.
What are the key properties of 14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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?
14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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 669.90 g/mol, XLogP of 12.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-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 164937634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).