N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine

C70H48N2O — CID 146333533

About N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine

N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine (PubChem CID 146333533) has the molecular formula C70H48N2O and a molecular weight of 933.17 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
• PubChem CID: 146333533
• Molecular Formula: C70H48N2O
• Molecular Weight: 933.17 g/mol
• Exact Mass: 932.38
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc21
• InChI: InChI=1S/C70H48N2O/c1-69(2)56-28-12-9-24-50(56)51-41-40-49(44-60(51)69)71(48-38-36-46(37-39-48)45-20-5-3-6-21-45)63-43-42-53(52-27-19-33-62-66(52)55-26-11-16-32-61(55)72(62)47-22-7-4-8-23-47)67-54-25-10-13-29-57(54)70(68(63)67)58-30-14-17-34-64(58)73-65-35-18-15-31-59(65)70/h3-44H,1-2H3
• InChIKey: NXTTWZQDVTURTA-UHFFFAOYSA-N
• XLogP: 18.36
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.17
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine (CID 146333533) is N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine?

The InChIKey is NXTTWZQDVTURTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2O/c1-69(2)56-28-12-9-24-50(56)51-41-40-49(44-60(51)69)71(48-38-36-46(37-39-48)45-20-5-3-6-21-45)63-43-42-53(52-27-19-33-62-66(52)55-26-11-16-32-61(55)72(62)47-22-7-4-8-23-47)67-54-25-10-13-29-57(54)70(68(63)67)58-30-14-17-34-64(58)73-65-35-18-15-31-59(65)70/h3-44H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine?

N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine has a molecular weight of 933.17 g/mol, XLogP of 18.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine is sourced from PubChem (CID 146333533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).