9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine

C74H59N — CID 155153830

About 9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine

9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 155153830) has the molecular formula C74H59N and a molecular weight of 962.29 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155153830
• Molecular Formula: C74H59N
• Molecular Weight: 962.29 g/mol
• Exact Mass: 961.46
• IUPAC Name: 9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine
• SMILES: CC(C)(C)c1ccc(C2(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)ccc3-c3c(-c4ccc(-c5ccccc5)cc4)cccc32)cc1
• InChI: InChI=1S/C74H59N/c1-72(2,3)56-40-42-58(43-41-56)74(57-38-36-53(37-39-57)51-22-11-7-12-23-51)67-30-19-28-62(55-34-32-52(33-35-55)50-20-9-6-10-21-50)71(67)65-47-45-60(49-69(65)74)75(70-31-18-16-26-61(70)54-24-13-8-14-25-54)59-44-46-64-63-27-15-17-29-66(63)73(4,5)68(64)48-59/h6-49H,1-5H3
• InChIKey: COUHDRSSXZAXEU-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	962.29
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine (CID 155153830) is 9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine is CC(C)(C)c1ccc(C2(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)ccc3-c3c(-c4ccc(-c5ccccc5)cc4)cccc32)cc1.

What is the InChIKey of 9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine?

The InChIKey is COUHDRSSXZAXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H59N/c1-72(2,3)56-40-42-58(43-41-56)74(57-38-36-53(37-39-57)51-22-11-7-12-23-51)67-30-19-28-62(55-34-32-52(33-35-55)50-20-9-6-10-21-50)71(67)65-47-45-60(49-69(65)74)75(70-31-18-16-26-61(70)54-24-13-8-14-25-54)59-44-46-64-63-27-15-17-29-66(63)73(4,5)68(64)48-59/h6-49H,1-5H3.

What are the key properties of 9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine?

9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 962.29 g/mol, XLogP of 19.79, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155153830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).