9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine

C221H226N14O2S2 — CID 157116965

About 9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine

9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine (PubChem CID 157116965) has the molecular formula C221H226N14O2S2 and a molecular weight of 3174.47 g/mol. Its IUPAC name is 9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine.

Molecular Properties

• Compound Name: 9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
• PubChem CID: 157116965
• Molecular Formula: C221H226N14O2S2
• Molecular Weight: 3174.47 g/mol
• Exact Mass: 3171.75
• IUPAC Name: 9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(N(c3ccccc3)c3ccc4ccccc4n3)c3cc(C)c(C)cc3c(N(c3ccccc3)c3ccc4ccccc4n3)c2c1.Cc1ccc2c(N(c3ccccc3)c3ccccc3)c3cc(C)c(C)cc3c(N(c3ccccc3)c3ccccc3)c2c1.Cc1ccc2c(N(c3ccccc3)c3cccn3C)c3cc(C)c(C)cc3c(N(c3ccccc3)c3cccn3C)c2c1.Cc1ccc2c(N(c3ccccc3)c3ccco3)c3cc(C)c(C)cc3c(N(c3ccccc3)c3ccco3)c2c1.Cc1ccc2c(N(c3ccccc3)c3cccs3)c3cc(C)c(C)cc3c(N(c3ccccc3)c3cccs3)c2c1
• InChI: InChI=1S/C47H36N4.C41H34N2.C39H36N4.C37H30N2O2.C37H30N2S2.10C2H6/c1-31-22-25-38-39(28-31)47(51(37-18-8-5-9-19-37)45-27-24-35-15-11-13-21-43(35)49-45)41-30-33(3)32(2)29-40(41)46(38)50(36-16-6-4-7-17-36)44-26-23-34-14-10-12-20-42(34)48-44;1-29-24-25-36-37(26-29)41(43(34-20-12-6-13-21-34)35-22-14-7-15-23-35)39-28-31(3)30(2)27-38(39)40(36)42(32-16-8-4-9-17-32)33-18-10-5-11-19-33;1-27-20-21-32-33(24-27)39(43(31-16-10-7-11-17-31)37-19-13-23-41(37)5)35-26-29(3)28(2)25-34(35)38(32)42(30-14-8-6-9-15-30)36-18-12-22-40(36)4;2*1-25-18-19-30-31(22-25)37(39(35-17-11-21-41-35)29-14-8-5-9-15-29)33-24-27(3)26(2)23-32(33)36(30)38(34-16-10-20-40-34)28-12-6-4-7-13-28;10*1-2/h4-30H,1-3H3;4-28H,1-3H3;6-26H,1-5H3;2*4-24H,1-3H3;10*1-2H3
• InChIKey: AHNFCHLYNOMWLF-UHFFFAOYSA-N
• XLogP: 68.63
• TPSA: 94.32 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3174.47
LogP ≤ 5	68.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine?

The IUPAC name of 9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine (CID 157116965) is 9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine.

What is the SMILES notation for 9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine?

The canonical SMILES for 9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(N(c3ccccc3)c3ccc4ccccc4n3)c3cc(C)c(C)cc3c(N(c3ccccc3)c3ccc4ccccc4n3)c2c1.Cc1ccc2c(N(c3ccccc3)c3ccccc3)c3cc(C)c(C)cc3c(N(c3ccccc3)c3ccccc3)c2c1.Cc1ccc2c(N(c3ccccc3)c3cccn3C)c3cc(C)c(C)cc3c(N(c3ccccc3)c3cccn3C)c2c1.Cc1ccc2c(N(c3ccccc3)c3ccco3)c3cc(C)c(C)cc3c(N(c3ccccc3)c3ccco3)c2c1.Cc1ccc2c(N(c3ccccc3)c3cccs3)c3cc(C)c(C)cc3c(N(c3ccccc3)c3cccs3)c2c1.

What is the InChIKey of 9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine?

The InChIKey is AHNFCHLYNOMWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N4.C41H34N2.C39H36N4.C37H30N2O2.C37H30N2S2.10C2H6/c1-31-22-25-38-39(28-31)47(51(37-18-8-5-9-19-37)45-27-24-35-15-11-13-21-43(35)49-45)41-30-33(3)32(2)29-40(41)46(38)50(36-16-6-4-7-17-36)44-26-23-34-14-10-12-20-42(34)48-44;1-29-24-25-36-37(26-29)41(43(34-20-12-6-13-21-34)35-22-14-7-15-23-35)39-28-31(3)30(2)27-38(39)40(36)42(32-16-8-4-9-17-32)33-18-10-5-11-19-33;1-27-20-21-32-33(24-27)39(43(31-16-10-7-11-17-31)37-19-13-23-41(37)5)35-26-29(3)28(2)25-34(35)38(32)42(30-14-8-6-9-15-30)36-18-12-22-40(36)4;2*1-25-18-19-30-31(22-25)37(39(35-17-11-21-41-35)29-14-8-5-9-15-29)33-24-27(3)26(2)23-32(33)36(30)38(34-16-10-20-40-34)28-12-6-4-7-13-28;10*1-2/h4-30H,1-3H3;4-28H,1-3H3;6-26H,1-5H3;2*4-24H,1-3H3;10*1-2H3.

What are the key properties of 9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine?

9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine has a molecular weight of 3174.47 g/mol, XLogP of 68.63, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine is sourced from PubChem (CID 157116965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).