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

C48H35NOSi — CID 164937662

IUPAC14,14-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
SMILESC[Si]1(C)c2ccc3oc4ccccc4c3c2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)c21
InChIInChI=1S/C48H35NOSi/c1-51(2)45-29-28-44-46(40-18-8-9-21-43(40)50-44)47(45)41-19-11-20-42(48(41)51)49(38-26-24-34(25-27-38)32-12-4-3-5-13-32)39-17-10-16-36(31-39)37-23-22-33-14-6-7-15-35(33)30-37/h3-31H,1-2H3
InChIKeyUFTCQOCFABWLOV-UHFFFAOYSA-N
MW669.90 g/mol
LogP12.35
Rot. Bonds5

About 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

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 (PubChem CID 164937662) has the molecular formula C48H35NOSi and a molecular weight of 669.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14,14-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
PubChem CID164937662
Molecular FormulaC48H35NOSi
Molecular Weight669.90 g/mol
Exact Mass669.25
IUPAC Name14,14-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
SMILESC[Si]1(C)c2ccc3oc4ccccc4c3c2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)c21
InChIInChI=1S/C48H35NOSi/c1-51(2)45-29-28-44-46(40-18-8-9-21-43(40)50-44)47(45)41-19-11-20-42(48(41)51)49(38-26-24-34(25-27-38)32-12-4-3-5-13-32)39-17-10-16-36(31-39)37-23-22-33-14-6-7-15-35(33)30-37/h3-31H,1-2H3
InChIKeyUFTCQOCFABWLOV-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-(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 with MolForge

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Related Compounds

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-(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-(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
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
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022
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
N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605759
N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086262
2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline
CID 167157315
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324594

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2ccc3oc4ccccc4c3c2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)c21.
What is the InChIKey of 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?
The InChIKey is UFTCQOCFABWLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NOSi/c1-51(2)45-29-28-44-46(40-18-8-9-21-43(40)50-44)47(45)41-19-11-20-42(48(41)51)49(38-26-24-34(25-27-38)32-12-4-3-5-13-32)39-17-10-16-36(31-39)37-23-22-33-14-6-7-15-35(33)30-37/h3-31H,1-2H3.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 164937662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).