5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine

C65H52N4 — CID 163720224

About 5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine

5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine (PubChem CID 163720224) has the molecular formula C65H52N4 and a molecular weight of 889.16 g/mol. Its IUPAC name is 5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine.

Molecular Properties

• Compound Name: 5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine
• PubChem CID: 163720224
• Molecular Formula: C65H52N4
• Molecular Weight: 889.16 g/mol
• Exact Mass: 888.42
• IUPAC Name: 5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine
• SMILES: CN1C2=C(C=CCC2)N(c2ccc3c(-c4cccc5c4C4C=CC=CC4C5(C)C)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4cccc5ccccc45)c3c2)c2ccccc21
• InChI: InChI=1S/C65H52N4/c1-65(2)52-25-8-7-22-48(52)64-49(24-18-26-53(64)65)63-47-38-36-42(68-58-31-13-9-27-54(58)66(3)55-28-10-14-32-59(55)68)39-50(47)62(45-23-17-20-41-19-5-6-21-44(41)45)46-37-35-43(40-51(46)63)69-60-33-15-11-29-56(60)67(4)57-30-12-16-34-61(57)69/h5-9,11-27,29-40,48,52H,10,28H2,1-4H3
• InChIKey: KQWYAKVVXCRAKX-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.16
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine?

The IUPAC name of 5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine (CID 163720224) is 5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine.

What is the SMILES notation for 5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine?

The canonical SMILES for 5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine is CN1C2=C(C=CCC2)N(c2ccc3c(-c4cccc5c4C4C=CC=CC4C5(C)C)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4cccc5ccccc45)c3c2)c2ccccc21.

What is the InChIKey of 5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine?

The InChIKey is KQWYAKVVXCRAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H52N4/c1-65(2)52-25-8-7-22-48(52)64-49(24-18-26-53(64)65)63-47-38-36-42(68-58-31-13-9-27-54(58)66(3)55-28-10-14-32-59(55)68)39-50(47)62(45-23-17-20-41-19-5-6-21-44(41)45)46-37-35-43(40-51(46)63)69-60-33-15-11-29-56(60)67(4)57-30-12-16-34-61(57)69/h5-9,11-27,29-40,48,52H,10,28H2,1-4H3.

What are the key properties of 5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine?

5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine has a molecular weight of 889.16 g/mol, XLogP of 17.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine is sourced from PubChem (CID 163720224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).