7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C126H81N5O3 — CID 159675657

About 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 159675657) has the molecular formula C126H81N5O3 and a molecular weight of 1713.07 g/mol. Its IUPAC name is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
• PubChem CID: 159675657
• Molecular Formula: C126H81N5O3
• Molecular Weight: 1713.07 g/mol
• Exact Mass: 1711.63
• IUPAC Name: 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
• SMILES: C=C/C=C(/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)oc2cc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)ccc23)cc1)c1cc2ccccc2o1.C=Cc1c(/C=C/N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)oc2cc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)ccc12
• InChI: InChI=1S/C66H43N3O.C60H38N2O2/c1-2-52-56-35-29-47(48-40-58-54-20-10-13-23-61(54)69-62-24-14-11-21-55(62)59(41-48)66(58)69)42-65(56)70-64(52)37-38-67(49-31-25-44(26-32-49)43-15-5-3-6-16-43)50-33-27-45(28-34-50)46-30-36-63-57(39-46)53-19-9-12-22-60(53)68(63)51-17-7-4-8-18-51;1-2-12-47(57-36-42-15-6-11-20-56(42)63-57)40-23-28-45(29-24-40)61(44-26-21-39(22-27-44)38-13-4-3-5-14-38)46-30-32-51-50-31-25-41(35-58(50)64-59(51)37-46)43-33-52-48-16-7-9-18-54(48)62-55-19-10-8-17-49(55)53(34-43)60(52)62/h2-42H,1H2;2-37H,1H2/b38-37+;47-12-
• InChIKey: MUOIYOKSFQPUHP-JUGWQDPFSA-N
• XLogP: 35.04
• TPSA: 59.65 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1713.07
LogP ≤ 5	35.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

The IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 159675657) is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

What is the SMILES notation for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

The canonical SMILES for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is C=C/C=C(/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)oc2cc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)ccc23)cc1)c1cc2ccccc2o1.C=Cc1c(/C=C/N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)oc2cc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)ccc12.

What is the InChIKey of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

The InChIKey is MUOIYOKSFQPUHP-JUGWQDPFSA-N. The full InChI is InChI=1S/C66H43N3O.C60H38N2O2/c1-2-52-56-35-29-47(48-40-58-54-20-10-13-23-61(54)69-62-24-14-11-21-55(62)59(41-48)66(58)69)42-65(56)70-64(52)37-38-67(49-31-25-44(26-32-49)43-15-5-3-6-16-43)50-33-27-45(28-34-50)46-30-36-63-57(39-46)53-19-9-12-22-60(53)68(63)51-17-7-4-8-18-51;1-2-12-47(57-36-42-15-6-11-20-56(42)63-57)40-23-28-45(29-24-40)61(44-26-21-39(22-27-44)38-13-4-3-5-14-38)46-30-32-51-50-31-25-41(35-58(50)64-59(51)37-46)43-33-52-48-16-7-9-18-54(48)62-55-19-10-8-17-49(55)53(34-43)60(52)62/h2-42H,1H2;2-37H,1H2/b38-37+;47-12-.

What are the key properties of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 1713.07 g/mol, XLogP of 35.04, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[(1Z)-1-(1-benzofuran-2-yl)buta-1,3-dienyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[(E)-2-[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-3-ethenyl-1-benzofuran-2-yl]ethenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 159675657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).