N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine

C73H63N — CID 171453091

About N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine

N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine (PubChem CID 171453091) has the molecular formula C73H63N and a molecular weight of 954.31 g/mol. Its IUPAC name is N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine
• PubChem CID: 171453091
• Molecular Formula: C73H63N
• Molecular Weight: 954.31 g/mol
• Exact Mass: 953.50
• IUPAC Name: N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine
• SMILES: CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)ccc32)cc1
• InChI: InChI=1S/C73H63N/c1-69(2,3)48-31-35-52(36-32-48)73(53-37-33-49(34-38-53)70(4,5)6)65-30-20-17-27-59(65)62-45-54(41-44-66(62)73)74(55-39-42-60-57-25-15-18-28-63(57)71(7,67(60)46-55)50-21-11-9-12-22-50)56-40-43-61-58-26-16-19-29-64(58)72(8,68(61)47-56)51-23-13-10-14-24-51/h9-47H,1-8H3
• InChIKey: LQYRKCQCJRDDPF-UHFFFAOYSA-N
• XLogP: 18.78
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.31
LogP ≤ 5	18.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine?

The IUPAC name of N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine (CID 171453091) is N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine.

What is the SMILES notation for N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine?

The canonical SMILES for N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3cc(N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)ccc32)cc1.

What is the InChIKey of N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine?

The InChIKey is LQYRKCQCJRDDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H63N/c1-69(2,3)48-31-35-52(36-32-48)73(53-37-33-49(34-38-53)70(4,5)6)65-30-20-17-27-59(65)62-45-54(41-44-66(62)73)74(55-39-42-60-57-25-15-18-28-63(57)71(7,67(60)46-55)50-21-11-9-12-22-50)56-40-43-61-58-26-16-19-29-64(58)72(8,68(61)47-56)51-23-13-10-14-24-51/h9-47H,1-8H3.

What are the key properties of N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine?

N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine has a molecular weight of 954.31 g/mol, XLogP of 18.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 171453091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).