9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine

C48H35NOSi — CID 168768939

IUPAC9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
SMILESC[Si]1(C)c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccccc4)c3)c2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C48H35NOSi/c1-51(2)44-21-11-19-42(46(44)47-45(51)29-28-41-40-18-8-9-20-43(40)50-48(41)47)49(39-17-10-16-36(31-39)32-12-4-3-5-13-32)38-26-24-34(25-27-38)37-23-22-33-14-6-7-15-35(33)30-37/h3-31H,1-2H3
InChIKeyRVNMMWRIEYUOQR-UHFFFAOYSA-N
MW669.90 g/mol
LogP12.35
Rot. Bonds5

About 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine

9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine (PubChem CID 168768939) has the molecular formula C48H35NOSi and a molecular weight of 669.90 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
PubChem CID168768939
Molecular FormulaC48H35NOSi
Molecular Weight669.90 g/mol
Exact Mass669.25
IUPAC Name9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
SMILESC[Si]1(C)c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccccc4)c3)c2-c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C48H35NOSi/c1-51(2)44-21-11-19-42(46(44)47-45(51)29-28-41-40-18-8-9-20-43(40)50-48(41)47)49(39-17-10-16-36(31-39)32-12-4-3-5-13-32)38-26-24-34(25-27-38)37-23-22-33-14-6-7-15-35(33)30-37/h3-31H,1-2H3
InChIKeyRVNMMWRIEYUOQR-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 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-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 159581585
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-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-5-amine;9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-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-7-amine;9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-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 167672669
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
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-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
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
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
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-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 169062439

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine (CID 168768939) is 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine is C[Si]1(C)c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccccc4)c3)c2-c2c1ccc1c2oc2ccccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?
The InChIKey is RVNMMWRIEYUOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NOSi/c1-51(2)44-21-11-19-42(46(44)47-45(51)29-28-41-40-18-8-9-20-43(40)50-48(41)47)49(39-17-10-16-36(31-39)32-12-4-3-5-13-32)38-26-24-34(25-27-38)37-23-22-33-14-6-7-15-35(33)30-37/h3-31H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-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 9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine is sourced from PubChem (CID 168768939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).