1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C58H43N — CID 171461488

About 1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 171461488) has the molecular formula C58H43N and a molecular weight of 761.03 g/mol. Its IUPAC name is 1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 171461488
• Molecular Formula: C58H43N
• Molecular Weight: 761.03 g/mol
• Exact Mass: 760.38
• IUPAC Name: 1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c([2H])c1C2(C)C
• InChI: InChI=1S/C58H43N/c1-57(2)51-29-15-12-25-46(51)47-38-37-45(39-54(47)57)59(44-35-33-41(34-36-44)40-19-6-3-7-20-40)55-32-17-14-26-48(55)49-28-18-31-53-56(49)50-27-13-16-30-52(50)58(53,42-21-8-4-9-22-42)43-23-10-5-11-24-43/h3-39H,1-2H3/i12D,15D,25D,29D,37D,38D,39D
• InChIKey: YPAYPCILAPMEJG-LGSXNQATSA-N
• XLogP: 15.16
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.03
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 171461488) is 1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is [2H]c1c([2H])c([2H])c2c(c1[2H])-c1c([2H])c([2H])c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c([2H])c1C2(C)C.

What is the InChIKey of 1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is YPAYPCILAPMEJG-LGSXNQATSA-N. The full InChI is InChI=1S/C58H43N/c1-57(2)51-29-15-12-25-46(51)47-38-37-45(39-54(47)57)59(44-35-33-41(34-36-44)40-19-6-3-7-20-40)55-32-17-14-26-48(55)49-28-18-31-53-56(49)50-27-13-16-30-52(50)58(53,42-21-8-4-9-22-42)43-23-10-5-11-24-43/h3-39H,1-2H3/i12D,15D,25D,29D,37D,38D,39D.

What are the key properties of 1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 761.03 g/mol, XLogP of 15.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4,5,6,7,8-heptadeuterio-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 171461488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).