5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine

C76H60N4 — CID 89111390

About 5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine

5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine (PubChem CID 89111390) has the molecular formula C76H60N4 and a molecular weight of 1029.34 g/mol. Its IUPAC name is 5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine.

Molecular Properties

• Compound Name: 5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
• PubChem CID: 89111390
• Molecular Formula: C76H60N4
• Molecular Weight: 1029.34 g/mol
• Exact Mass: 1028.48
• IUPAC Name: 5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
• SMILES: CN1c2ccccc2N(c2ccc3c(-c4ccccc4-c4ccc5c(c4)C(C)(C)C4C=CC=CC54)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)c2ccccc21
• InChI: InChI=1S/C76H60N4/c1-75(2)61-25-11-9-22-52(61)54-39-35-47(43-63(54)75)51-21-7-8-24-56(51)74-58-42-38-49(79-69-31-17-13-27-65(69)77(5)66-28-14-18-32-70(66)79)45-59(58)73(48-36-40-55-53-23-10-12-26-62(53)76(3,4)64(55)44-48)57-41-37-50(46-60(57)74)80-71-33-19-15-29-67(71)78(6)68-30-16-20-34-72(68)80/h7-46,52,61H,1-6H3
• InChIKey: VGHJYJRNXIPGNO-UHFFFAOYSA-N
• XLogP: 20.52
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.34
LogP ≤ 5	20.52
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-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine?

The IUPAC name of 5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine (CID 89111390) is 5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine.

What is the SMILES notation for 5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine?

The canonical SMILES for 5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine is CN1c2ccccc2N(c2ccc3c(-c4ccccc4-c4ccc5c(c4)C(C)(C)C4C=CC=CC54)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)c2ccccc21.

What is the InChIKey of 5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine?

The InChIKey is VGHJYJRNXIPGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H60N4/c1-75(2)61-25-11-9-22-52(61)54-39-35-47(43-63(54)75)51-21-7-8-24-56(51)74-58-42-38-49(79-69-31-17-13-27-65(69)77(5)66-28-14-18-32-70(66)79)45-59(58)73(48-36-40-55-53-23-10-12-26-62(53)76(3,4)64(55)44-48)57-41-37-50(46-60(57)74)80-71-33-19-15-29-67(71)78(6)68-30-16-20-34-72(68)80/h7-46,52,61H,1-6H3.

What are the key properties of 5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine?

5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine has a molecular weight of 1029.34 g/mol, XLogP of 20.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine is sourced from PubChem (CID 89111390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).