6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine

C85H62N2 — CID 89061121

About 6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine

6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine (PubChem CID 89061121) has the molecular formula C85H62N2 and a molecular weight of 1111.44 g/mol. Its IUPAC name is 6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine
• PubChem CID: 89061121
• Molecular Formula: C85H62N2
• Molecular Weight: 1111.44 g/mol
• Exact Mass: 1110.49
• IUPAC Name: 6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c(-c4ccc(C5=c6ccccc6=CCC5)cc4)c4ccc(N(c5ccc6c(c5)C=CCC6)c5ccc6ccccc6c5)cc34)cc21
• InChI: InChI=1S/C85H62N2/c1-85(2)81-29-14-13-27-75(81)76-45-38-66(52-82(76)85)84-78-47-44-71(86(67-39-34-55-16-3-7-21-62(55)48-67)68-40-35-56-17-4-8-22-63(56)49-68)53-79(78)83(61-32-30-60(31-33-61)74-28-15-25-59-20-11-12-26-73(59)74)77-46-43-72(54-80(77)84)87(69-41-36-57-18-5-9-23-64(57)50-69)70-42-37-58-19-6-10-24-65(58)51-70/h3-5,7-14,16-18,20-27,29-54H,6,15,19,28H2,1-2H3
• InChIKey: FFYDQYXAWVDVQQ-UHFFFAOYSA-N
• XLogP: 21.77
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1111.44
LogP ≤ 5	21.77
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 6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine?

The IUPAC name of 6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine (CID 89061121) is 6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine.

What is the SMILES notation for 6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine?

The canonical SMILES for 6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine is CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c(-c4ccc(C5=c6ccccc6=CCC5)cc4)c4ccc(N(c5ccc6c(c5)C=CCC6)c5ccc6ccccc6c5)cc34)cc21.

What is the InChIKey of 6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine?

The InChIKey is FFYDQYXAWVDVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H62N2/c1-85(2)81-29-14-13-27-75(81)76-45-38-66(52-82(76)85)84-78-47-44-71(86(67-39-34-55-16-3-7-21-62(55)48-67)68-40-35-56-17-4-8-22-63(56)49-68)53-79(78)83(61-32-30-60(31-33-61)74-28-15-25-59-20-11-12-26-73(59)74)77-46-43-72(54-80(77)84)87(69-41-36-57-18-5-9-23-64(57)50-69)70-42-37-58-19-6-10-24-65(58)51-70/h3-5,7-14,16-18,20-27,29-54H,6,15,19,28H2,1-2H3.

What are the key properties of 6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine?

6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine has a molecular weight of 1111.44 g/mol, XLogP of 21.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(5,6-dihydronaphthalen-2-yl)-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine is sourced from PubChem (CID 89061121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).