4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline

C66H46N2OSi — CID 140706896

About 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline

4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline (PubChem CID 140706896) has the molecular formula C66H46N2OSi and a molecular weight of 911.19 g/mol. Its IUPAC name is 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline
• PubChem CID: 140706896
• Molecular Formula: C66H46N2OSi
• Molecular Weight: 911.19 g/mol
• Exact Mass: 910.34
• IUPAC Name: 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline
• SMILES: C=C/C=C\C(=C)[Si](c1ccccc1)(c1ccccc1)c1ccc(N(c2ccc(-c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
• InChI: InChI=1S/C66H46N2OSi/c1-3-4-17-45(2)70(52-18-7-5-8-19-52,53-20-9-6-10-21-53)54-41-39-51(40-42-54)67(50-37-32-47(33-38-50)55-24-15-27-60-57-23-12-14-29-64(57)69-66(55)60)49-35-30-46(31-36-49)48-34-43-63-61(44-48)59-26-16-25-58-56-22-11-13-28-62(56)68(63)65(58)59/h3-44H,1-2H2/b17-4-
• InChIKey: WNDIFLKQUWMLJH-INGKJJEOSA-N
• XLogP: 15.85
• TPSA: 20.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.19
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline?

The IUPAC name of 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline (CID 140706896) is 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline.

What is the SMILES notation for 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline?

The canonical SMILES for 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline is C=C/C=C\C(=C)[Si](c1ccccc1)(c1ccccc1)c1ccc(N(c2ccc(-c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.

What is the InChIKey of 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline?

The InChIKey is WNDIFLKQUWMLJH-INGKJJEOSA-N. The full InChI is InChI=1S/C66H46N2OSi/c1-3-4-17-45(2)70(52-18-7-5-8-19-52,53-20-9-6-10-21-53)54-41-39-51(40-42-54)67(50-37-32-47(33-38-50)55-24-15-27-60-57-23-12-14-29-64(57)69-66(55)60)49-35-30-46(31-36-49)48-34-43-63-61(44-48)59-26-16-25-58-56-22-11-13-28-62(56)68(63)65(58)59/h3-44H,1-2H2/b17-4-.

What are the key properties of 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline?

4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline has a molecular weight of 911.19 g/mol, XLogP of 15.85, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]aniline is sourced from PubChem (CID 140706896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).