2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline

C117H87N5 — CID 158762850

About 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline

2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline (PubChem CID 158762850) has the molecular formula C117H87N5 and a molecular weight of 1563.02 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline.

Molecular Properties

• Compound Name: 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline
• PubChem CID: 158762850
• Molecular Formula: C117H87N5
• Molecular Weight: 1563.02 g/mol
• Exact Mass: 1561.70
• IUPAC Name: 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline
• SMILES: Cc1ccc2c(-c3cc(-c4ccccc4)c4ccccc4n3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3cnc4ccccc4n3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3cncnc3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1
• InChI: InChI=1S/C45H33N.C38H28N2.C34H26N2/c1-28-21-23-35-38(25-28)43(30-22-24-40-37(26-30)31-15-9-11-19-39(31)45(40,2)3)33-17-7-8-18-34(33)44(35)42-27-36(29-13-5-4-6-14-29)32-16-10-12-20-41(32)46-42;1-23-16-18-28-30(20-23)36(24-17-19-32-29(21-24)25-10-6-7-13-31(25)38(32,2)3)26-11-4-5-12-27(26)37(28)35-22-39-33-14-8-9-15-34(33)40-35;1-21-12-14-27-29(16-21)32(25-9-4-5-10-26(25)33(27)23-18-35-20-36-19-23)22-13-15-31-28(17-22)24-8-6-7-11-30(24)34(31,2)3/h4-27H,1-3H3;4-22H,1-3H3;4-20H,1-3H3
• InChIKey: IOWSPZHCZBBTCI-UHFFFAOYSA-N
• XLogP: 30.77
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1563.02
LogP ≤ 5	30.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline?

The IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline (CID 158762850) is 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline.

What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline?

The canonical SMILES for 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline is Cc1ccc2c(-c3cc(-c4ccccc4)c4ccccc4n3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3cnc4ccccc4n3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3cncnc3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.

What is the InChIKey of 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline?

The InChIKey is IOWSPZHCZBBTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N.C38H28N2.C34H26N2/c1-28-21-23-35-38(25-28)43(30-22-24-40-37(26-30)31-15-9-11-19-39(31)45(40,2)3)33-17-7-8-18-34(33)44(35)42-27-36(29-13-5-4-6-14-29)32-16-10-12-20-41(32)46-42;1-23-16-18-28-30(20-23)36(24-17-19-32-29(21-24)25-10-6-7-13-31(25)38(32,2)3)26-11-4-5-12-27(26)37(28)35-22-39-33-14-8-9-15-34(33)40-35;1-21-12-14-27-29(16-21)32(25-9-4-5-10-26(25)33(27)23-18-35-20-36-19-23)22-13-15-31-28(17-22)24-8-6-7-11-30(24)34(31,2)3/h4-27H,1-3H3;4-22H,1-3H3;4-20H,1-3H3.

What are the key properties of 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline?

2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline has a molecular weight of 1563.02 g/mol, XLogP of 30.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-4-phenylquinoline;5-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]pyrimidine;2-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]quinoxaline is sourced from PubChem (CID 158762850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).