7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

C56H43N — CID 153018330

About 7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (PubChem CID 153018330) has the molecular formula C56H43N and a molecular weight of 729.97 g/mol. Its IUPAC name is 7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
• PubChem CID: 153018330
• Molecular Formula: C56H43N
• Molecular Weight: 729.97 g/mol
• Exact Mass: 729.34
• IUPAC Name: 7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccccc34)cc21
• InChI: InChI=1S/C56H43N/c1-55(2)49-26-16-15-21-41(49)42-30-27-36(33-50(42)55)53-45-22-11-13-24-47(45)54(48-25-14-12-23-46(48)53)37-28-31-43-44-32-29-40(35-52(44)56(3,4)51(43)34-37)57(38-17-7-5-8-18-38)39-19-9-6-10-20-39/h5-35H,1-4H3
• InChIKey: VBKUKUXQNJWZNC-UHFFFAOYSA-N
• XLogP: 15.41
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.97
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The IUPAC name of 7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (CID 153018330) is 7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

What is the SMILES notation for 7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The canonical SMILES for 7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6ccccc6)ccc4-5)c4ccccc34)cc21.

What is the InChIKey of 7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The InChIKey is VBKUKUXQNJWZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N/c1-55(2)49-26-16-15-21-41(49)42-30-27-36(33-50(42)55)53-45-22-11-13-24-47(45)54(48-25-14-12-23-46(48)53)37-28-31-43-44-32-29-40(35-52(44)56(3,4)51(43)34-37)57(38-17-7-5-8-18-38)39-19-9-6-10-20-39/h5-35H,1-4H3.

What are the key properties of 7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 729.97 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 153018330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).