6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine

C194H128N4O4S2 — CID 159129251

About 6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine

6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine (PubChem CID 159129251) has the molecular formula C194H128N4O4S2 and a molecular weight of 2643.32 g/mol. Its IUPAC name is 6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine.

Molecular Properties

• Compound Name: 6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
• PubChem CID: 159129251
• Molecular Formula: C194H128N4O4S2
• Molecular Weight: 2643.32 g/mol
• Exact Mass: 2640.94
• IUPAC Name: 6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
• SMILES: CC(C)(C)c1cccc2c1oc1c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cccc12.c1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc23)cc1.c1ccc2c(c1)cc(-c1ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3oc3ccccc34)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4c3oc3ccccc34)cc1)c1ccccc12
• InChI: InChI=1S/C54H35NO.C52H39NO.2C44H27NOS/c1-2-13-38(14-3-1)46-20-10-21-49-50-22-11-23-52(54(50)56-53(46)49)55(43-30-26-37(27-31-43)41-25-24-36-12-4-5-15-40(36)34-41)44-32-28-39(29-33-44)51-35-42-16-6-7-17-45(42)47-18-8-9-19-48(47)51;1-52(2,3)48-20-10-18-45-46-19-11-21-49(51(46)54-50(45)48)53(40-28-24-35(25-29-40)38-23-22-34-12-4-5-13-37(34)32-38)41-30-26-36(27-31-41)47-33-39-14-6-7-15-42(39)43-16-8-9-17-44(43)47;1-2-11-32-29(10-1)26-39(34-13-4-3-12-33(32)34)28-20-22-30(23-21-28)45(31-24-25-37-36-15-6-8-19-42(36)47-43(37)27-31)40-17-9-16-38-35-14-5-7-18-41(35)46-44(38)40;1-2-11-32-29(10-1)26-38(34-13-4-3-12-33(32)34)28-20-22-30(23-21-28)45(31-24-25-43-39(27-31)36-15-6-8-19-42(36)47-43)40-17-9-16-37-35-14-5-7-18-41(35)46-44(37)40/h1-35H;4-33H,1-3H3;2*1-27H
• InChIKey: KGRCHUVPYDFVEE-UHFFFAOYSA-N
• XLogP: 57.46
• TPSA: 65.52 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2643.32
LogP ≤ 5	57.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine?

The IUPAC name of 6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine (CID 159129251) is 6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine.

What is the SMILES notation for 6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine?

The canonical SMILES for 6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine is CC(C)(C)c1cccc2c1oc1c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cccc12.c1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc23)cc1.c1ccc2c(c1)cc(-c1ccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3oc3ccccc34)cc1)c1ccccc12.c1ccc2c(c1)cc(-c1ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4c3oc3ccccc34)cc1)c1ccccc12.

What is the InChIKey of 6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine?

The InChIKey is KGRCHUVPYDFVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO.C52H39NO.2C44H27NOS/c1-2-13-38(14-3-1)46-20-10-21-49-50-22-11-23-52(54(50)56-53(46)49)55(43-30-26-37(27-31-43)41-25-24-36-12-4-5-15-40(36)34-41)44-32-28-39(29-33-44)51-35-42-16-6-7-17-45(42)47-18-8-9-19-48(47)51;1-52(2,3)48-20-10-18-45-46-19-11-21-49(51(46)54-50(45)48)53(40-28-24-35(25-29-40)38-23-22-34-12-4-5-13-37(34)32-38)41-30-26-36(27-31-41)47-33-39-14-6-7-15-42(39)43-16-8-9-17-44(43)47;1-2-11-32-29(10-1)26-39(34-13-4-3-12-33(32)34)28-20-22-30(23-21-28)45(31-24-25-37-36-15-6-8-19-42(36)47-43(37)27-31)40-17-9-16-38-35-14-5-7-18-41(35)46-44(38)40;1-2-11-32-29(10-1)26-38(34-13-4-3-12-33(32)34)28-20-22-30(23-21-28)45(31-24-25-43-39(27-31)36-15-6-8-19-42(36)47-43)40-17-9-16-37-35-14-5-7-18-41(35)46-44(37)40/h1-35H;4-33H,1-3H3;2*1-27H.

What are the key properties of 6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine?

6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine has a molecular weight of 2643.32 g/mol, XLogP of 57.46, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-3-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine is sourced from PubChem (CID 159129251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).