2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine

C224H188N12O6S4 — CID 158751149

About 2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine

2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine (PubChem CID 158751149) has the molecular formula C224H188N12O6S4 and a molecular weight of 3272.31 g/mol. Its IUPAC name is 2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine.

Molecular Properties

• Compound Name: 2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine
• PubChem CID: 158751149
• Molecular Formula: C224H188N12O6S4
• Molecular Weight: 3272.31 g/mol
• Exact Mass: 3269.37
• IUPAC Name: 2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine
• SMILES: CC(C)(C)c1cc2cc(-c3cc4oc(N(c5ccccc5)c5ccccc5)cc4o3)c3cc(C(C)(C)C)cc4cc(-c5cc6oc(N(c7ccccc7)c7ccccc7)cc6o5)c(c1)c2c43.CC(C)(C)c1cc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)c3cc(C(C)(C)C)cc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)s5)c(c1)c2c43.CC(C)(C)c1cc2cc(-c3ncc(N(c4ccccc4)c4ccccc4)o3)c3cc(C(C)(C)C)cc4cc(-c5ncc(N(c6ccccc6)c6ccccc6)o5)c(c1)c2c43.CC(C)(C)c1cc2cc(-c3ncc(N(c4ccccc4)c4ccccc4)s3)c3cc(C(C)(C)C)cc4cc(-c5ncc(N(c6ccccc6)c6ccccc6)s5)c(c1)c2c43
• InChI: InChI=1S/C60H48N2O4.C56H48N2S2.C54H46N4O2.C54H46N4S2/c1-59(2,3)39-27-37-29-46(50-34-52-54(64-50)36-56(66-52)62(43-23-15-9-16-24-43)44-25-17-10-18-26-44)48-32-40(60(4,5)6)28-38-30-45(47(31-39)57(37)58(38)48)49-33-51-53(63-49)35-55(65-51)61(41-19-11-7-12-20-41)42-21-13-8-14-22-42;1-55(2,3)39-31-37-33-46(50-28-30-52(60-50)58(43-23-15-9-16-24-43)44-25-17-10-18-26-44)48-36-40(56(4,5)6)32-38-34-45(47(35-39)53(37)54(38)48)49-27-29-51(59-49)57(41-19-11-7-12-20-41)42-21-13-8-14-22-42;2*1-53(2,3)37-27-35-29-46(52-56-34-48(60-52)58(41-23-15-9-16-24-41)42-25-17-10-18-26-42)44-32-38(54(4,5)6)28-36-30-45(43(31-37)49(35)50(36)44)51-55-33-47(59-51)57(39-19-11-7-12-20-39)40-21-13-8-14-22-40/h7-36H,1-6H3;7-36H,1-6H3;2*7-34H,1-6H3
• InChIKey: INMOCTUBKJCDLT-UHFFFAOYSA-N
• XLogP: 67.50
• TPSA: 156.32 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 32
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3272.31
LogP ≤ 5	67.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine?

The IUPAC name of 2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine (CID 158751149) is 2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine.

What is the SMILES notation for 2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine?

The canonical SMILES for 2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine is CC(C)(C)c1cc2cc(-c3cc4oc(N(c5ccccc5)c5ccccc5)cc4o3)c3cc(C(C)(C)C)cc4cc(-c5cc6oc(N(c7ccccc7)c7ccccc7)cc6o5)c(c1)c2c43.CC(C)(C)c1cc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)c3cc(C(C)(C)C)cc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)s5)c(c1)c2c43.CC(C)(C)c1cc2cc(-c3ncc(N(c4ccccc4)c4ccccc4)o3)c3cc(C(C)(C)C)cc4cc(-c5ncc(N(c6ccccc6)c6ccccc6)o5)c(c1)c2c43.CC(C)(C)c1cc2cc(-c3ncc(N(c4ccccc4)c4ccccc4)s3)c3cc(C(C)(C)C)cc4cc(-c5ncc(N(c6ccccc6)c6ccccc6)s5)c(c1)c2c43.

What is the InChIKey of 2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine?

The InChIKey is INMOCTUBKJCDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2O4.C56H48N2S2.C54H46N4O2.C54H46N4S2/c1-59(2,3)39-27-37-29-46(50-34-52-54(64-50)36-56(66-52)62(43-23-15-9-16-24-43)44-25-17-10-18-26-44)48-32-40(60(4,5)6)28-38-30-45(47(31-39)57(37)58(38)48)49-33-51-53(63-49)35-55(65-51)61(41-19-11-7-12-20-41)42-21-13-8-14-22-42;1-55(2,3)39-31-37-33-46(50-28-30-52(60-50)58(43-23-15-9-16-24-43)44-25-17-10-18-26-44)48-36-40(56(4,5)6)32-38-34-45(47(35-39)53(37)54(38)48)49-27-29-51(59-49)57(41-19-11-7-12-20-41)42-21-13-8-14-22-42;2*1-53(2,3)37-27-35-29-46(52-56-34-48(60-52)58(41-23-15-9-16-24-41)42-25-17-10-18-26-42)44-32-38(54(4,5)6)28-36-30-45(43(31-37)49(35)50(36)44)51-55-33-47(59-51)57(39-19-11-7-12-20-39)40-21-13-8-14-22-40/h7-36H,1-6H3;7-36H,1-6H3;2*7-34H,1-6H3.

What are the key properties of 2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine?

2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine has a molecular weight of 3272.31 g/mol, XLogP of 67.50, 32 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)furo[3,2-b]furan-2-yl]pyren-4-yl]-N,N-diphenylfuro[3,2-b]furan-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-oxazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-oxazol-5-amine;2-[2,7-ditert-butyl-9-[5-(N-phenylanilino)-1,3-thiazol-2-yl]pyren-4-yl]-N,N-diphenyl-1,3-thiazol-5-amine;5-[2,7-ditert-butyl-9-[5-(N-phenylanilino)thiophen-2-yl]pyren-4-yl]-N,N-diphenylthiophen-2-amine is sourced from PubChem (CID 158751149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).