N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine

C50H37NOSi — CID 176766243

IUPACN-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
SMILESC1=CCC([Si](c2ccccc2)(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc4c3ccc3cc5c(cc34)oc3ccccc35)c2)C=C1
InChIInChI=1S/C50H37NOSi/c1-5-17-37(18-6-1)51(48-29-16-28-43-44(48)32-31-36-33-47-45-27-13-14-30-49(45)52-50(47)35-46(36)43)38-19-15-26-42(34-38)53(39-20-7-2-8-21-39,40-22-9-3-10-23-40)41-24-11-4-12-25-41/h1-24,26-35,41H,25H2
InChIKeySSKSYSNTVSELCH-UHFFFAOYSA-N
MW695.94 g/mol
LogP11.72
Rot. Bonds7

About N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine

N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine (PubChem CID 176766243) has the molecular formula C50H37NOSi and a molecular weight of 695.94 g/mol. Its IUPAC name is N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine.

Molecular Properties

Compound NameN-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
PubChem CID176766243
Molecular FormulaC50H37NOSi
Molecular Weight695.94 g/mol
Exact Mass695.26
IUPAC NameN-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
SMILESC1=CCC([Si](c2ccccc2)(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc4c3ccc3cc5c(cc34)oc3ccccc35)c2)C=C1
InChIInChI=1S/C50H37NOSi/c1-5-17-37(18-6-1)51(48-29-16-28-43-44(48)32-31-36-33-47-45-27-13-14-30-49(45)52-50(47)35-46(36)43)38-19-15-26-42(34-38)53(39-20-7-2-8-21-39,40-22-9-3-10-23-40)41-24-11-4-12-25-41/h1-24,26-35,41H,25H2
InChIKeySSKSYSNTVSELCH-UHFFFAOYSA-N
XLogP11.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.94
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine with MolForge

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Related Compounds

N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
CID 171732012
N-dibenzothiophen-2-yl-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
CID 170779146
1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
CID 170410635
N-dibenzofuran-3-yl-N-phenanthren-1-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779480
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
1-N,5-N-di(dibenzofuran-2-yl)-1-N,5-N-diphenylchrysene-1,5-diamine
CID 170410722
N-dibenzofuran-1-yl-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170778911
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
1-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-3-N-phenanthren-9-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 170779449
1-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-1-N,3-N-diphenyl-3-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 170779603
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?
The IUPAC name of N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine (CID 176766243) is N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine.
What is the SMILES notation for N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?
The canonical SMILES for N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine is C1=CCC([Si](c2ccccc2)(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc4c3ccc3cc5c(cc34)oc3ccccc35)c2)C=C1.
What is the InChIKey of N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?
The InChIKey is SSKSYSNTVSELCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37NOSi/c1-5-17-37(18-6-1)51(48-29-16-28-43-44(48)32-31-36-33-47-45-27-13-14-30-49(45)52-50(47)35-46(36)43)38-19-15-26-42(34-38)53(39-20-7-2-8-21-39,40-22-9-3-10-23-40)41-24-11-4-12-25-41/h1-24,26-35,41H,25H2.
What are the key properties of N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?
N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine has a molecular weight of 695.94 g/mol, XLogP of 11.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexa-2,4-dien-1-yl(diphenyl)silyl]phenyl]-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine is sourced from PubChem (CID 176766243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).