2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene

C68H50N2Si2 — CID 140742933

IUPAC2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene
SMILESc1ccc(CC[Si]2(c3ccccc3)c3cc(-c4ccccc4)ccc3N3c4ccc(-c5ccccc5)cc4[Si](c4ccccc4)(c4ccccc4)c4cc5c6ccccc6n(-c6ccccc6)c5c2c43)cc1
InChIInChI=1S/C68H50N2Si2/c1-8-24-49(25-9-1)44-45-71(55-32-16-5-17-33-55)63-46-52(50-26-10-2-11-27-50)40-42-61(63)70-62-43-41-53(51-28-12-3-13-29-51)47-64(62)72(56-34-18-6-19-35-56,57-36-20-7-21-37-57)65-48-59-58-38-22-23-39-60(58)69(54-30-14-4-15-31-54)66(59)68(71)67(65)70/h1-43,46-48H,44-45H2
InChIKeyIHHWQVJUXYMAFL-UHFFFAOYSA-N
MW951.33 g/mol
LogP12.30
Rot. Bonds9

About 2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene

2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene (PubChem CID 140742933) has the molecular formula C68H50N2Si2 and a molecular weight of 951.33 g/mol. Its IUPAC name is 2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene
PubChem CID140742933
Molecular FormulaC68H50N2Si2
Molecular Weight951.33 g/mol
Exact Mass950.35
IUPAC Name2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene
SMILESc1ccc(CC[Si]2(c3ccccc3)c3cc(-c4ccccc4)ccc3N3c4ccc(-c5ccccc5)cc4[Si](c4ccccc4)(c4ccccc4)c4cc5c6ccccc6n(-c6ccccc6)c5c2c43)cc1
InChIInChI=1S/C68H50N2Si2/c1-8-24-49(25-9-1)44-45-71(55-32-16-5-17-33-55)63-46-52(50-26-10-2-11-27-50)40-42-61(63)70-62-43-41-53(51-28-12-3-13-29-51)47-64(62)72(56-34-18-6-19-35-56,57-36-20-7-21-37-57)65-48-59-58-38-22-23-39-60(58)69(54-30-14-4-15-31-54)66(59)68(71)67(65)70/h1-43,46-48H,44-45H2
InChIKeyIHHWQVJUXYMAFL-UHFFFAOYSA-N
XLogP12.30
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.33
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene with MolForge

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Related Compounds

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CID 162768964
2-carbazol-9-yl-8-[3-[9-(2-carbazol-9-yl-5-methyl-10,10-diphenylbenzo[b][1,4]benzazasilin-8-yl)carbazol-3-yl]carbazol-9-yl]-5,10,10-triphenylbenzo[b][1,4]benzazasiline
CID 146921753
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 134168605
8-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-8,14,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162769013
N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine
CID 153459020
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CID 118501913
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CID 142356248

Frequently Asked Questions

What is the IUPAC name of 2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene?
The IUPAC name of 2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene (CID 140742933) is 2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene.
What is the SMILES notation for 2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene?
The canonical SMILES for 2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene is c1ccc(CC[Si]2(c3ccccc3)c3cc(-c4ccccc4)ccc3N3c4ccc(-c5ccccc5)cc4[Si](c4ccccc4)(c4ccccc4)c4cc5c6ccccc6n(-c6ccccc6)c5c2c43)cc1.
What is the InChIKey of 2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene?
The InChIKey is IHHWQVJUXYMAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N2Si2/c1-8-24-49(25-9-1)44-45-71(55-32-16-5-17-33-55)63-46-52(50-26-10-2-11-27-50)40-42-61(63)70-62-43-41-53(51-28-12-3-13-29-51)47-64(62)72(56-34-18-6-19-35-56,57-36-20-7-21-37-57)65-48-59-58-38-22-23-39-60(58)69(54-30-14-4-15-31-54)66(59)68(71)67(65)70/h1-43,46-48H,44-45H2.
What are the key properties of 2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene?
2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene has a molecular weight of 951.33 g/mol, XLogP of 12.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,13,16,19-hexakis-phenyl-16-(2-phenylethyl)-9,19-diaza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene is sourced from PubChem (CID 140742933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).