2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine

C51H56N2 — CID 163974841

About 2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine

2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine (PubChem CID 163974841) has the molecular formula C51H56N2 and a molecular weight of 697.02 g/mol. Its IUPAC name is 2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine.

Molecular Properties

• Compound Name: 2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine
• PubChem CID: 163974841
• Molecular Formula: C51H56N2
• Molecular Weight: 697.02 g/mol
• Exact Mass: 696.44
• IUPAC Name: 2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine
• SMILES: CC1=CC(N(C2=CC=CCC2)C2=CC3C(CC2)C2=C(C=C(N(C4=CCCC(C)C4)C4C=CC=CC4)CC2)C32c3ccccc3C3C=CC=CC32)CC=C1
• InChI: InChI=1S/C51H56N2/c1-35-15-13-21-39(31-35)52(37-17-5-3-6-18-37)41-27-29-45-46-30-28-42(53(38-19-7-4-8-20-38)40-22-14-16-36(2)32-40)34-50(46)51(49(45)33-41)47-25-11-9-23-43(47)44-24-10-12-26-48(44)51/h3-7,9-12,14,16-17,19,21,23-26,32-35,37,40,43,46-47,50H,8,13,15,18,20,22,27-31H2,1-2H3
• InChIKey: STEXKDUGKKXLRB-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.02
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine?

The IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine (CID 163974841) is 2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine.

What is the SMILES notation for 2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine?

The canonical SMILES for 2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine is CC1=CC(N(C2=CC=CCC2)C2=CC3C(CC2)C2=C(C=C(N(C4=CCCC(C)C4)C4C=CC=CC4)CC2)C32c3ccccc3C3C=CC=CC32)CC=C1.

What is the InChIKey of 2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine?

The InChIKey is STEXKDUGKKXLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56N2/c1-35-15-13-21-39(31-35)52(37-17-5-3-6-18-37)41-27-29-45-46-30-28-42(53(38-19-7-4-8-20-38)40-22-14-16-36(2)32-40)34-50(46)51(49(45)33-41)47-25-11-9-23-43(47)44-24-10-12-26-48(44)51/h3-7,9-12,14,16-17,19,21,23-26,32-35,37,40,43,46-47,50H,8,13,15,18,20,22,27-31H2,1-2H3.

What are the key properties of 2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine?

2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine has a molecular weight of 697.02 g/mol, XLogP of 12.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-cyclohexa-1,3-dien-1-yl-7-N-cyclohexa-2,4-dien-1-yl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)-7-N-(5-methylcyclohexen-1-yl)spiro[3,4,4a,5,6,9a-hexahydrofluorene-9,9'-4a,9a-dihydrofluorene]-2,7-diamine is sourced from PubChem (CID 163974841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).