N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

C68H43NOSSi — CID 153300607

IUPACN-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4[Si](c4ccccc4)(c4ccccc4)c4ccc6ccc7sc8ccccc8c7c6c4-5)c3)c3ccc4oc5ccc6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C68H43NOSSi/c1-4-16-44(17-5-1)45-30-35-49(36-31-45)69(51-37-39-59-58(43-51)65-54-25-11-10-18-46(54)32-38-60(65)70-59)50-20-14-19-48(42-50)55-27-15-28-57-67-63(72(68(55)57,52-21-6-2-7-22-52)53-23-8-3-9-24-53)41-34-47-33-40-62-66(64(47)67)56-26-12-13-29-61(56)71-62/h1-43H
InChIKeyTTYNGIMOTKXDLZ-UHFFFAOYSA-N
MW950.25 g/mol
LogP16.42
Rot. Bonds7

About N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 153300607) has the molecular formula C68H43NOSSi and a molecular weight of 950.25 g/mol. Its IUPAC name is N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
PubChem CID153300607
Molecular FormulaC68H43NOSSi
Molecular Weight950.25 g/mol
Exact Mass949.28
IUPAC NameN-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4[Si](c4ccccc4)(c4ccccc4)c4ccc6ccc7sc8ccccc8c7c6c4-5)c3)c3ccc4oc5ccc6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C68H43NOSSi/c1-4-16-44(17-5-1)45-30-35-49(36-31-45)69(51-37-39-59-58(43-51)65-54-25-11-10-18-46(54)32-38-60(65)70-59)50-20-14-19-48(42-50)55-27-15-28-57-67-63(72(68(55)57,52-21-6-2-7-22-52)53-23-8-3-9-24-53)41-34-47-33-40-62-66(64(47)67)56-26-12-13-29-61(56)71-62/h1-43H
InChIKeyTTYNGIMOTKXDLZ-UHFFFAOYSA-N
XLogP16.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.25
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine with MolForge

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Related Compounds

N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 172508784
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168807527
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508758
N-naphtho[2,1-b][1]benzothiol-10-yl-9-phenanthren-2-yl-N-phenyldibenzofuran-2-amine
CID 172508793
3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170040977
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-2-amine
CID 167184166
N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170033292
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 167324053
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168807272
8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine
CID 170044237
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039767
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170039350

Frequently Asked Questions

What is the IUPAC name of N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (CID 153300607) is N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4[Si](c4ccccc4)(c4ccccc4)c4ccc6ccc7sc8ccccc8c7c6c4-5)c3)c3ccc4oc5ccc6ccccc6c5c4c3)cc2)cc1.
What is the InChIKey of N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is TTYNGIMOTKXDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NOSSi/c1-4-16-44(17-5-1)45-30-35-49(36-31-45)69(51-37-39-59-58(43-51)65-54-25-11-10-18-46(54)32-38-60(65)70-59)50-20-14-19-48(42-50)55-27-15-28-57-67-63(72(68(55)57,52-21-6-2-7-22-52)53-23-8-3-9-24-53)41-34-47-33-40-62-66(64(47)67)56-26-12-13-29-61(56)71-62/h1-43H.
What are the key properties of N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 950.25 g/mol, XLogP of 16.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(17,17-diphenyl-9-thia-17-silahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-19-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 153300607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).