4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine

C174H120N8S3 — CID 164948847

About 4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine

4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine (PubChem CID 164948847) has the molecular formula C174H120N8S3 and a molecular weight of 2419.13 g/mol. Its IUPAC name is 4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

• Compound Name: 4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine
• PubChem CID: 164948847
• Molecular Formula: C174H120N8S3
• Molecular Weight: 2419.13 g/mol
• Exact Mass: 2416.88
• IUPAC Name: 4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine
• SMILES: CC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5ccc(N(c6ccccc6)c6ccc(C#N)cc6)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(-c5ccc6c(c5)sc5cc(N(c7ccc(C#N)cc7)c7ccc8ccccc8c7)ccc56)cc1c4c23.CC1(C)c2cccc3ccc4cc(-c5ccc6c(c5)sc5cc(N(c7ccccc7)c7ccc(-c8cccnc8)cc7)ccc56)cc1c4c23.CC1(C)c2cccc3ccc4cc(-c5ccc6c(c5)sc5cc(N(c7ccccc7)c7ccccn7)ccc56)cc1c4c23
• InChI: InChI=1S/C46H30N2S.C46H32N2S.C42H30N2.C40H28N2S/c1-46(2)40-9-5-8-30-12-13-33-22-34(24-41(46)45(33)44(30)40)32-15-20-38-39-21-19-37(26-43(39)49-42(38)25-32)48(35-16-10-28(27-47)11-17-35)36-18-14-29-6-3-4-7-31(29)23-36;1-46(2)40-12-6-8-30-13-14-32-24-34(25-41(46)45(32)44(30)40)31-17-21-38-39-22-20-37(27-43(39)49-42(38)26-31)48(35-10-4-3-5-11-35)36-18-15-29(16-19-36)33-9-7-23-47-28-33;1-42(2)38-25-33(29-9-5-3-6-10-29)23-31-15-16-32-24-34(26-39(42)41(32)40(31)38)30-17-21-37(22-18-30)44(35-11-7-4-8-12-35)36-19-13-28(27-43)14-20-36;1-40(2)33-12-8-9-25-14-15-27-21-28(22-34(40)39(27)38(25)33)26-16-18-31-32-19-17-30(24-36(32)43-35(31)23-26)42(29-10-4-3-5-11-29)37-13-6-7-20-41-37/h3-26H,1-2H3;3-28H,1-2H3;3-26H,1-2H3;3-24H,1-2H3
• InChIKey: AGDJVRITXPKTHL-UHFFFAOYSA-N
• XLogP: 49.20
• TPSA: 86.32 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2419.13
LogP ≤ 5	49.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine?

The IUPAC name of 4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine (CID 164948847) is 4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine.

What is the SMILES notation for 4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine?

The canonical SMILES for 4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine is CC1(C)c2cc(-c3ccccc3)cc3ccc4cc(-c5ccc(N(c6ccccc6)c6ccc(C#N)cc6)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(-c5ccc6c(c5)sc5cc(N(c7ccc(C#N)cc7)c7ccc8ccccc8c7)ccc56)cc1c4c23.CC1(C)c2cccc3ccc4cc(-c5ccc6c(c5)sc5cc(N(c7ccccc7)c7ccc(-c8cccnc8)cc7)ccc56)cc1c4c23.CC1(C)c2cccc3ccc4cc(-c5ccc6c(c5)sc5cc(N(c7ccccc7)c7ccccn7)ccc56)cc1c4c23.

What is the InChIKey of 4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine?

The InChIKey is AGDJVRITXPKTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S.C46H32N2S.C42H30N2.C40H28N2S/c1-46(2)40-9-5-8-30-12-13-33-22-34(24-41(46)45(33)44(30)40)32-15-20-38-39-21-19-37(26-43(39)49-42(38)25-32)48(35-16-10-28(27-47)11-17-35)36-18-14-29-6-3-4-7-31(29)23-36;1-46(2)40-12-6-8-30-13-14-32-24-34(25-41(46)45(32)44(30)40)31-17-21-38-39-22-20-37(27-43(39)49-42(38)26-31)48(35-10-4-3-5-11-35)36-18-15-29(16-19-36)33-9-7-23-47-28-33;1-42(2)38-25-33(29-9-5-3-6-10-29)23-31-15-16-32-24-34(26-39(42)41(32)40(31)38)30-17-21-37(22-18-30)44(35-11-7-4-8-12-35)36-19-13-28(27-43)14-20-36;1-40(2)33-12-8-9-25-14-15-27-21-28(22-34(40)39(27)38(25)33)26-16-18-31-32-19-17-30(24-36(32)43-35(31)23-26)42(29-10-4-3-5-11-29)37-13-6-7-20-41-37/h3-26H,1-2H3;3-28H,1-2H3;3-26H,1-2H3;3-24H,1-2H3.

What are the key properties of 4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine?

4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 2419.13 g/mol, XLogP of 49.20, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-naphthalen-2-ylamino]benzonitrile;N-[7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)dibenzothiophen-3-yl]-N-phenylpyridin-2-amine;7-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-phenyl-N-(4-pyridin-3-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 164948847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).