2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine

C73H56N2 — CID 89060934

About 2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine

2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine (PubChem CID 89060934) has the molecular formula C73H56N2 and a molecular weight of 961.27 g/mol. Its IUPAC name is 2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine
• PubChem CID: 89060934
• Molecular Formula: C73H56N2
• Molecular Weight: 961.27 g/mol
• Exact Mass: 960.44
• IUPAC Name: 2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N(c5ccccc5)c5ccccc5)cc4c(C4=CC=C(c5cccc6ccccc56)CC4)c4ccc(N(C5=CCCC=C5)c5ccc6ccccc6c5)cc34)cc21
• InChI: InChI=1S/C73H56N2/c1-73(2)69-32-17-16-30-63(69)64-42-38-54(46-70(64)73)72-66-44-40-59(74(55-23-6-3-7-24-55)56-25-8-4-9-26-56)47-67(66)71(52-35-33-51(34-36-52)62-31-18-22-50-20-14-15-29-61(50)62)65-43-41-60(48-68(65)72)75(57-27-10-5-11-28-57)58-39-37-49-19-12-13-21-53(49)45-58/h3-4,6-10,12-33,35,37-48H,5,11,34,36H2,1-2H3
• InChIKey: WYLBIFUGFKGSMR-UHFFFAOYSA-N
• XLogP: 20.38
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.27
LogP ≤ 5	20.38
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 2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine?

The IUPAC name of 2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine (CID 89060934) is 2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine.

What is the SMILES notation for 2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine?

The canonical SMILES for 2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine is CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N(c5ccccc5)c5ccccc5)cc4c(C4=CC=C(c5cccc6ccccc56)CC4)c4ccc(N(C5=CCCC=C5)c5ccc6ccccc6c5)cc34)cc21.

What is the InChIKey of 2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine?

The InChIKey is WYLBIFUGFKGSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H56N2/c1-73(2)69-32-17-16-30-63(69)64-42-38-54(46-70(64)73)72-66-44-40-59(74(55-23-6-3-7-24-55)56-25-8-4-9-26-56)47-67(66)71(52-35-33-51(34-36-52)62-31-18-22-50-20-14-15-29-61(50)62)65-43-41-60(48-68(65)72)75(57-27-10-5-11-28-57)58-39-37-49-19-12-13-21-53(49)45-58/h3-4,6-10,12-33,35,37-48H,5,11,34,36H2,1-2H3.

What are the key properties of 2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine?

2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine has a molecular weight of 961.27 g/mol, XLogP of 20.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine is sourced from PubChem (CID 89060934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).