9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine

C77H56N2 — CID 89061114

About 9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine

9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine (PubChem CID 89061114) has the molecular formula C77H56N2 and a molecular weight of 1009.31 g/mol. Its IUPAC name is 9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
• PubChem CID: 89061114
• Molecular Formula: C77H56N2
• Molecular Weight: 1009.31 g/mol
• Exact Mass: 1008.44
• IUPAC Name: 9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
• SMILES: CC1(C)C2=C(CCC(c3ccc(-c4c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5c(-c5ccc6ccccc6c5)c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc45)cc3)=C2)c2ccccc21
• InChI: InChI=1S/C77H56N2/c1-77(2)73-28-16-15-27-67(73)68-42-37-59(48-74(68)77)54-29-32-55(33-30-54)75-69-43-40-66(79(62-25-7-4-8-26-62)64-39-36-53-19-11-14-22-58(53)47-64)50-72(69)76(60-34-31-51-17-9-12-20-56(51)45-60)70-44-41-65(49-71(70)75)78(61-23-5-3-6-24-61)63-38-35-52-18-10-13-21-57(52)46-63/h3-36,38-41,43-50H,37,42H2,1-2H3
• InChIKey: PSSOBAJRANPOTL-UHFFFAOYSA-N
• XLogP: 21.65
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.31
LogP ≤ 5	21.65
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-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine?

The IUPAC name of 9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine (CID 89061114) is 9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine.

What is the SMILES notation for 9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine?

The canonical SMILES for 9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine is CC1(C)C2=C(CCC(c3ccc(-c4c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5c(-c5ccc6ccccc6c5)c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc45)cc3)=C2)c2ccccc21.

What is the InChIKey of 9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine?

The InChIKey is PSSOBAJRANPOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H56N2/c1-77(2)73-28-16-15-27-67(73)68-42-37-59(48-74(68)77)54-29-32-55(33-30-54)75-69-43-40-66(79(62-25-7-4-8-26-62)64-39-36-53-19-11-14-22-58(53)47-64)50-72(69)76(60-34-31-51-17-9-12-20-56(51)45-60)70-44-41-65(49-71(70)75)78(61-23-5-3-6-24-61)63-38-35-52-18-10-13-21-57(52)46-63/h3-36,38-41,43-50H,37,42H2,1-2H3.

What are the key properties of 9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine?

9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine has a molecular weight of 1009.31 g/mol, XLogP of 21.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-2-N,6-N,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine is sourced from PubChem (CID 89061114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).