N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine

C54H39N — CID 171453614

About N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine

N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine (PubChem CID 171453614) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine.

Molecular Properties

• Compound Name: N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine
• PubChem CID: 171453614
• Molecular Formula: C54H39N
• Molecular Weight: 701.91 g/mol
• Exact Mass: 701.31
• IUPAC Name: N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine
• SMILES: CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(C)c3ccccc3)c3cc4ccccc4c4ccccc34)cc21
• InChI: InChI=1S/C54H39N/c1-53(37-19-5-3-6-20-37)47-29-16-14-27-45(47)52-48(53)30-17-31-50(52)55(51-34-36-18-9-10-23-40(36)41-24-11-12-26-44(41)51)39-32-33-43-42-25-13-15-28-46(42)54(2,49(43)35-39)38-21-7-4-8-22-38/h3-35H,1-2H3
• InChIKey: WJGLXVDZSBNXNK-UHFFFAOYSA-N
• XLogP: 14.13
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.91
LogP ≤ 5	14.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine?

The IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine (CID 171453614) is N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine.

What is the SMILES notation for N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine?

The canonical SMILES for N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C4(C)c3ccccc3)c3cc4ccccc4c4ccccc34)cc21.

What is the InChIKey of N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine?

The InChIKey is WJGLXVDZSBNXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-53(37-19-5-3-6-20-37)47-29-16-14-27-45(47)52-48(53)30-17-31-50(52)55(51-34-36-18-9-10-23-40(36)41-24-11-12-26-44(41)51)39-32-33-43-42-25-13-15-28-46(42)54(2,49(43)35-39)38-21-7-4-8-22-38/h3-35H,1-2H3.

What are the key properties of N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine?

N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine has a molecular weight of 701.91 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-9-amine is sourced from PubChem (CID 171453614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).