N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine

C71H49N — CID 142481221

About N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine (PubChem CID 142481221) has the molecular formula C71H49N and a molecular weight of 916.18 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine
• PubChem CID: 142481221
• Molecular Formula: C71H49N
• Molecular Weight: 916.18 g/mol
• Exact Mass: 915.39
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
• InChI: InChI=1S/C71H49N/c1-69(2)61-31-15-13-29-56(61)58-41-38-49(44-67(58)69)72(48-37-40-55-53-27-10-9-25-51(53)52-26-11-12-28-54(52)60(55)43-48)50-39-42-59-57-30-14-16-32-62(57)71(68(59)45-50)65-35-19-17-33-63(65)70(46-21-5-3-6-22-46,47-23-7-4-8-24-47)64-34-18-20-36-66(64)71/h3-45H,1-2H3
• InChIKey: KYAPDFFZBCLSDI-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.18
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine (CID 142481221) is N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine?

The InChIKey is KYAPDFFZBCLSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H49N/c1-69(2)61-31-15-13-29-56(61)58-41-38-49(44-67(58)69)72(48-37-40-55-53-27-10-9-25-51(53)52-26-11-12-28-54(52)60(55)43-48)50-39-42-59-57-30-14-16-32-62(57)71(68(59)45-50)65-35-19-17-33-63(65)70(46-21-5-3-6-22-46,47-23-7-4-8-24-47)64-34-18-20-36-66(64)71/h3-45H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine?

N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine has a molecular weight of 916.18 g/mol, XLogP of 17.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine is sourced from PubChem (CID 142481221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).