1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane

C162H150N10O6 — CID 158332517

About 1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane

1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane (PubChem CID 158332517) has the molecular formula C162H150N10O6 and a molecular weight of 2333.05 g/mol. Its IUPAC name is 1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane.

Molecular Properties

• Compound Name: 1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane
• PubChem CID: 158332517
• Molecular Formula: C162H150N10O6
• Molecular Weight: 2333.05 g/mol
• Exact Mass: 2331.17
• IUPAC Name: 1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.Cn1cccc1N(c1ccccc1)c1cc2cccc3c(N(c4ccccc4)c4cccn4C)cc4cccc1c4c23.c1ccc(N(c2ccco2)c2cc3cccc4c(N(c5ccccc5)c5ccco5)cc5cccc2c5c34)cc1.c1ccc(N(c2ccco2)c2ccc3ccc4c(N(c5ccccc5)c5ccco5)ccc5ccc2c3c54)cc1.c1ccc(N(c2ccco2)c2ccc3ccc4ccc(N(c5ccccc5)c5ccco5)c5ccc2c3c45)cc1
• InChI: InChI=1S/C38H30N4.3C36H24N2O2.8C2H6/c1-39-23-11-21-35(39)41(29-15-5-3-6-16-29)33-25-27-13-10-20-32-34(26-28-14-9-19-31(33)37(28)38(27)32)42(30-17-7-4-8-18-30)36-22-12-24-40(36)2;1-3-13-27(14-4-1)37(33-19-9-21-39-33)31-23-25-11-8-18-30-32(24-26-12-7-17-29(31)35(26)36(25)30)38(34-20-10-22-40-34)28-15-5-2-6-16-28;1-3-9-27(10-4-1)37(33-13-7-23-39-33)31-21-17-25-16-20-30-32(22-18-26-15-19-29(31)35(25)36(26)30)38(34-14-8-24-40-34)28-11-5-2-6-12-28;1-3-9-27(10-4-1)37(33-13-7-23-39-33)31-21-17-25-15-16-26-18-22-32(30-20-19-29(31)35(25)36(26)30)38(34-14-8-24-40-34)28-11-5-2-6-12-28;8*1-2/h3-26H,1-2H3;3*1-24H;8*1-2H3
• InChIKey: GQEKECGTAIBBBK-UHFFFAOYSA-N
• XLogP: 50.54
• TPSA: 114.62 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2333.05
LogP ≤ 5	50.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane?

The IUPAC name of 1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane (CID 158332517) is 1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane.

What is the SMILES notation for 1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane?

The canonical SMILES for 1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.Cn1cccc1N(c1ccccc1)c1cc2cccc3c(N(c4ccccc4)c4cccn4C)cc4cccc1c4c23.c1ccc(N(c2ccco2)c2cc3cccc4c(N(c5ccccc5)c5ccco5)cc5cccc2c5c34)cc1.c1ccc(N(c2ccco2)c2ccc3ccc4c(N(c5ccccc5)c5ccco5)ccc5ccc2c3c54)cc1.c1ccc(N(c2ccco2)c2ccc3ccc4ccc(N(c5ccccc5)c5ccco5)c5ccc2c3c45)cc1.

What is the InChIKey of 1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane?

The InChIKey is GQEKECGTAIBBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4.3C36H24N2O2.8C2H6/c1-39-23-11-21-35(39)41(29-15-5-3-6-16-29)33-25-27-13-10-20-32-34(26-28-14-9-19-31(33)37(28)38(27)32)42(30-17-7-4-8-18-30)36-22-12-24-40(36)2;1-3-13-27(14-4-1)37(33-19-9-21-39-33)31-23-25-11-8-18-30-32(24-26-12-7-17-29(31)35(26)36(25)30)38(34-20-10-22-40-34)28-15-5-2-6-16-28;1-3-9-27(10-4-1)37(33-13-7-23-39-33)31-21-17-25-16-20-30-32(22-18-26-15-19-29(31)35(25)36(26)30)38(34-14-8-24-40-34)28-11-5-2-6-12-28;1-3-9-27(10-4-1)37(33-13-7-23-39-33)31-21-17-25-15-16-26-18-22-32(30-20-19-29(31)35(25)36(26)30)38(34-14-8-24-40-34)28-11-5-2-6-12-28;8*1-2/h3-26H,1-2H3;3*1-24H;8*1-2H3.

What are the key properties of 1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane?

1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane has a molecular weight of 2333.05 g/mol, XLogP of 50.54, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,6-N-bis(furan-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,8-N-bis(furan-2-yl)-1-N,8-N-diphenylpyrene-1,8-diamine;4-N,9-N-bis(furan-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;4-N,9-N-bis(1-methylpyrrol-2-yl)-4-N,9-N-diphenylpyrene-4,9-diamine;ethane is sourced from PubChem (CID 158332517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).