N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine

C66H47N3Si — CID 140706910

About N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine

N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine (PubChem CID 140706910) has the molecular formula C66H47N3Si and a molecular weight of 910.21 g/mol. Its IUPAC name is N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine.

Molecular Properties

• Compound Name: N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine
• PubChem CID: 140706910
• Molecular Formula: C66H47N3Si
• Molecular Weight: 910.21 g/mol
• Exact Mass: 909.35
• IUPAC Name: N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine
• SMILES: C=C/C=C\C(=C)[Si](c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)cc1
• InChI: InChI=1S/C66H47N3Si/c1-3-4-19-46(2)70(53-22-10-6-11-23-53,54-24-12-7-13-25-54)55-40-34-48(35-41-55)47-32-36-50(37-33-47)67(51-38-42-64-60(44-51)57-27-15-16-30-62(57)68(64)49-20-8-5-9-21-49)52-39-43-65-61(45-52)59-29-18-28-58-56-26-14-17-31-63(56)69(65)66(58)59/h3-45H,1-2H2/b19-4-
• InChIKey: HGBJWRKGFGSSJI-PVOVUMCXSA-N
• XLogP: 15.38
• TPSA: 12.58 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.21
LogP ≤ 5	15.38
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 N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine?

The IUPAC name of N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine (CID 140706910) is N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine.

What is the SMILES notation for N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine?

The canonical SMILES for N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine is C=C/C=C\C(=C)[Si](c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)cc1.

What is the InChIKey of N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine?

The InChIKey is HGBJWRKGFGSSJI-PVOVUMCXSA-N. The full InChI is InChI=1S/C66H47N3Si/c1-3-4-19-46(2)70(53-22-10-6-11-23-53,54-24-12-7-13-25-54)55-40-34-48(35-41-55)47-32-36-50(37-33-47)67(51-38-42-64-60(44-51)57-27-15-16-30-62(57)68(64)49-20-8-5-9-21-49)52-39-43-65-61(45-52)59-29-18-28-58-56-26-14-17-31-63(56)69(65)66(58)59/h3-45H,1-2H2/b19-4-.

What are the key properties of N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine?

N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine has a molecular weight of 910.21 g/mol, XLogP of 15.38, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]phenyl]phenyl]-N-(9-phenylcarbazol-3-yl)-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-amine is sourced from PubChem (CID 140706910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).