9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine

C78H68N2 — CID 88869115

About 9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine

9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine (PubChem CID 88869115) has the molecular formula C78H68N2 and a molecular weight of 1033.42 g/mol. Its IUPAC name is 9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine.

Molecular Properties

• Compound Name: 9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
• PubChem CID: 88869115
• Molecular Formula: C78H68N2
• Molecular Weight: 1033.42 g/mol
• Exact Mass: 1032.54
• IUPAC Name: 9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
• SMILES: CCc1c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)cc2c(CC)c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)cc12
• InChI: InChI=1S/C78H68N2/c1-11-53-55-35-31-50(80(48-25-17-14-18-26-48)52-34-38-60-66-46-72-64(44-74(66)78(9,10)70(60)42-52)58-28-20-22-30-68(58)76(72,5)6)40-62(55)54(12-2)56-36-32-49(39-61(53)56)79(47-23-15-13-16-24-47)51-33-37-59-65-45-71-63(43-73(65)77(7,8)69(59)41-51)57-27-19-21-29-67(57)75(71,3)4/h13-46H,11-12H2,1-10H3
• InChIKey: WRTRTBMUOICSME-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.42
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine?

The IUPAC name of 9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine (CID 88869115) is 9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine.

What is the SMILES notation for 9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine?

The canonical SMILES for 9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine is CCc1c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)cc2c(CC)c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)cc12.

What is the InChIKey of 9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine?

The InChIKey is WRTRTBMUOICSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H68N2/c1-11-53-55-35-31-50(80(48-25-17-14-18-26-48)52-34-38-60-66-46-72-64(44-74(66)78(9,10)70(60)42-52)58-28-20-22-30-68(58)76(72,5)6)40-62(55)54(12-2)56-36-32-49(39-61(53)56)79(47-23-15-13-16-24-47)51-33-37-59-65-45-71-63(43-73(65)77(7,8)69(59)41-51)57-27-19-21-29-67(57)75(71,3)4/h13-46H,11-12H2,1-10H3.

What are the key properties of 9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine?

9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine has a molecular weight of 1033.42 g/mol, XLogP of 21.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-diethyl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine is sourced from PubChem (CID 88869115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).