N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine

C70H57N — CID 170447042

About N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine

N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170447042) has the molecular formula C70H57N and a molecular weight of 912.23 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
• PubChem CID: 170447042
• Molecular Formula: C70H57N
• Molecular Weight: 912.23 g/mol
• Exact Mass: 911.45
• IUPAC Name: N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3cccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21
• InChI: InChI=1S/C70H57N/c1-67(2)43-44-68(3,4)63-45-48(41-42-60(63)67)56-46-57-54-35-20-22-37-58(54)70(51-29-14-7-15-30-51,52-31-16-8-17-32-52)62(57)47-65(56)71(53-33-18-9-19-34-53)64-40-24-39-61-66(64)55-36-21-23-38-59(55)69(61,49-25-10-5-11-26-49)50-27-12-6-13-28-50/h5-42,45-47H,43-44H2,1-4H3
• InChIKey: WOQKCCDFQDMKEL-UHFFFAOYSA-N
• XLogP: 17.90
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.23
LogP ≤ 5	17.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine?

The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine (CID 170447042) is N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3cccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21.

What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine?

The InChIKey is WOQKCCDFQDMKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H57N/c1-67(2)43-44-68(3,4)63-45-48(41-42-60(63)67)56-46-57-54-35-20-22-37-58(54)70(51-29-14-7-15-30-51,52-31-16-8-17-32-52)62(57)47-65(56)71(53-33-18-9-19-34-53)64-40-24-39-61-66(64)55-36-21-23-38-59(55)69(61,49-25-10-5-11-26-49)50-27-12-6-13-28-50/h5-42,45-47H,43-44H2,1-4H3.

What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine?

N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 912.23 g/mol, XLogP of 17.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-4-yl)-N,9,9-triphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170447042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).