4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine

C65H63N3 — CID 135218372

About 4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine

4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine (PubChem CID 135218372) has the molecular formula C65H63N3 and a molecular weight of 886.24 g/mol. Its IUPAC name is 4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine.

Molecular Properties

• Compound Name: 4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine
• PubChem CID: 135218372
• Molecular Formula: C65H63N3
• Molecular Weight: 886.24 g/mol
• Exact Mass: 885.50
• IUPAC Name: 4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine
• SMILES: C1=CCC(n2c3c(c4c2C=CC(N(C2=CCCCC2)C2=CCCC5=C2C2C=CC=CC2C52C5=C(C=CCC5)c5ccc(N(c6cccc7ccccc67)C6CC=CCC6)cc52)C4)CCC=C3)C=C1
• InChI: InChI=1S/C65H63N3/c1-4-22-45(23-5-1)66(60-36-18-21-44-20-10-11-28-50(44)60)49-38-40-52-51-29-12-15-32-56(51)65(59(52)43-49)57-33-16-13-31-54(57)64-58(65)34-19-37-63(64)67(46-24-6-2-7-25-46)48-39-41-62-55(42-48)53-30-14-17-35-61(53)68(62)47-26-8-3-9-27-47/h1,3-4,8-13,16-18,20-21,24,26,28-29,31,33,35-41,43,45,47-48,54,57H,2,5-7,14-15,19,22-23,25,27,30,32,34,42H2
• InChIKey: LHUYAANQYUYUPV-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.24
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine?

The IUPAC name of 4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine (CID 135218372) is 4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine.

What is the SMILES notation for 4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine?

The canonical SMILES for 4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine is C1=CCC(n2c3c(c4c2C=CC(N(C2=CCCCC2)C2=CCCC5=C2C2C=CC=CC2C52C5=C(C=CCC5)c5ccc(N(c6cccc7ccccc67)C6CC=CCC6)cc52)C4)CCC=C3)C=C1.

What is the InChIKey of 4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine?

The InChIKey is LHUYAANQYUYUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H63N3/c1-4-22-45(23-5-1)66(60-36-18-21-44-20-10-11-28-50(44)60)49-38-40-52-51-29-12-15-32-56(51)65(59(52)43-49)57-33-16-13-31-54(57)64-58(65)34-19-37-63(64)67(46-24-6-2-7-25-46)48-39-41-62-55(42-48)53-30-14-17-35-61(53)68(62)47-26-8-3-9-27-47/h1,3-4,8-13,16-18,20-21,24,26,28-29,31,33,35-41,43,45,47-48,54,57H,2,5-7,14-15,19,22-23,25,27,30,32,34,42H2.

What are the key properties of 4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine?

4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine has a molecular weight of 886.24 g/mol, XLogP of 16.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine is sourced from PubChem (CID 135218372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).