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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)aniline

C174H118N6O2S3 — CID 158730380

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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)aniline (PubChem CID 158730380) has the molecular formula C174H118N6O2S3 and a molecular weight of 2421.10 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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)aniline
• PubChem CID: 158730380
• Molecular Formula: C174H118N6O2S3
• Molecular Weight: 2421.10 g/mol
• Exact Mass: 2418.85
• 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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)aniline
• SMILES: C1=CC(c2ccc(N(c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)Cc2c1sc1ccccc21.C=CC(C/C=C/N(c1ccc(-c2ccccc2)cc1)c1ccc(C2C=Cc3sc4ccccc4c3C2)cc1)c1ccc2c(c1)c1cccc3c4ccccc4n2c31.C=CC(C/C=C/c1ccc2sc3ccccc3c2c1)N(c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1)c1ccc(-c2ccc3c(c2)c2cccc4c5ccccc5n3c42)cc1
• InChI: InChI=1S/C60H38N2OS.C60H40N2OS.C54H40N2S/c1-4-16-54-46(9-1)49-13-8-14-50-52-35-40(25-33-55(52)62(54)59(49)50)37-19-27-42(28-20-37)61(43-29-21-38(22-30-43)41-26-34-58-53(36-41)48-11-3-6-18-57(48)64-58)44-31-23-39(24-32-44)45-12-7-15-51-47-10-2-5-17-56(47)63-60(45)51;1-2-43(12-9-11-38-21-34-59-53(35-38)49-15-5-8-20-58(49)64-59)61(45-30-24-40(25-31-45)42-26-32-48-47-14-4-7-19-56(47)63-57(48)37-42)44-28-22-39(23-29-44)41-27-33-55-52(36-41)51-17-10-16-50-46-13-3-6-18-54(46)62(55)60(50)51;1-2-36(40-25-31-51-48(34-40)47-18-10-17-46-44-15-6-8-19-50(44)56(51)54(46)47)14-11-33-55(42-27-21-38(22-28-42)37-12-4-3-5-13-37)43-29-23-39(24-30-43)41-26-32-53-49(35-41)45-16-7-9-20-52(45)57-53/h1-35,41H,36H2;2-11,13-37,43H,1,12H2;2-13,15-34,36,41H,1,14,35H2/b;11-9+;33-11+
• InChIKey: ILAFXNQBHBHYPI-KCACGBHNSA-N
• XLogP: 49.43
• TPSA: 49.23 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 24
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.10
LogP ≤ 5	49.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', '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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)aniline (CID 158730380) 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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)aniline is C1=CC(c2ccc(N(c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)Cc2c1sc1ccccc21.C=CC(C/C=C/N(c1ccc(-c2ccccc2)cc1)c1ccc(C2C=Cc3sc4ccccc4c3C2)cc1)c1ccc2c(c1)c1cccc3c4ccccc4n2c31.C=CC(C/C=C/c1ccc2sc3ccccc3c2c1)N(c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1)c1ccc(-c2ccc3c(c2)c2cccc4c5ccccc5n3c42)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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)aniline?

The InChIKey is ILAFXNQBHBHYPI-KCACGBHNSA-N. The full InChI is InChI=1S/C60H38N2OS.C60H40N2OS.C54H40N2S/c1-4-16-54-46(9-1)49-13-8-14-50-52-35-40(25-33-55(52)62(54)59(49)50)37-19-27-42(28-20-37)61(43-29-21-38(22-30-43)41-26-34-58-53(36-41)48-11-3-6-18-57(48)64-58)44-31-23-39(24-32-44)45-12-7-15-51-47-10-2-5-17-56(47)63-60(45)51;1-2-43(12-9-11-38-21-34-59-53(35-38)49-15-5-8-20-58(49)64-59)61(45-30-24-40(25-31-45)42-26-32-48-47-14-4-7-19-56(47)63-57(48)37-42)44-28-22-39(23-29-44)41-27-33-55-52(36-41)51-17-10-16-50-46-13-3-6-18-54(46)62(55)60(50)51;1-2-36(40-25-31-51-48(34-40)47-18-10-17-46-44-15-6-8-19-50(44)56(51)54(46)47)14-11-33-55(42-27-21-38(22-28-42)37-12-4-3-5-13-37)43-29-23-39(24-30-43)41-26-32-53-49(35-41)45-16-7-9-20-52(45)57-53/h1-35,41H,36H2;2-11,13-37,43H,1,12H2;2-13,15-34,36,41H,1,14,35H2/b;11-9+;33-11+.

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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)aniline has a molecular weight of 2421.10 g/mol, XLogP of 49.43, 24 rotatable bonds, 0 hydrogen bond donors, and 11 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-3-ylphenyl)-N-[(5E)-6-dibenzothiophen-2-ylhexa-1,5-dien-3-yl]aniline;N-[(1E)-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)hexa-1,5-dienyl]-4-(1,2-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)aniline;N-[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)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(1,2-dihydrodibenzothiophen-2-yl)aniline is sourced from PubChem (CID 158730380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).