6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine

C74H67N — CID 176622694

About 6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine

6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine (PubChem CID 176622694) has the molecular formula C74H67N and a molecular weight of 970.36 g/mol. Its IUPAC name is 6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
• PubChem CID: 176622694
• Molecular Formula: C74H67N
• Molecular Weight: 970.36 g/mol
• Exact Mass: 969.53
• IUPAC Name: 6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
• SMILES: CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
• InChI: InChI=1S/C74H67N/c1-70(2,3)52-32-36-56(37-33-52)74(57-38-34-53(35-39-57)71(4,5)6)67-45-40-58(72(7,8)9)47-65(67)64-44-42-61(49-69(64)74)75(59-29-21-24-51(46-59)50-22-13-10-14-23-50)60-41-43-63-62-30-19-20-31-66(62)73(68(63)48-60,54-25-15-11-16-26-54)55-27-17-12-18-28-55/h10-49H,1-9H3
• InChIKey: LTUASAZQLSIIHS-UHFFFAOYSA-N
• XLogP: 19.44
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.36
LogP ≤ 5	19.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine?

The IUPAC name of 6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine (CID 176622694) is 6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1.

What is the InChIKey of 6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine?

The InChIKey is LTUASAZQLSIIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H67N/c1-70(2,3)52-32-36-56(37-33-52)74(57-38-34-53(35-39-57)71(4,5)6)67-45-40-58(72(7,8)9)47-65(67)64-44-42-61(49-69(64)74)75(59-29-21-24-51(46-59)50-22-13-10-14-23-50)60-41-43-63-62-30-19-20-31-66(62)73(68(63)48-60,54-25-15-11-16-26-54)55-27-17-12-18-28-55/h10-49H,1-9H3.

What are the key properties of 6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine?

6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine has a molecular weight of 970.36 g/mol, XLogP of 19.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 176622694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).