7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine

C99H68N2 — CID 101429725

About 7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine

7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine (PubChem CID 101429725) has the molecular formula C99H68N2 and a molecular weight of 1285.65 g/mol. Its IUPAC name is 7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
• PubChem CID: 101429725
• Molecular Formula: C99H68N2
• Molecular Weight: 1285.65 g/mol
• Exact Mass: 1284.54
• IUPAC Name: 7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)ccc4-5)ccc2-3)cc1
• InChI: InChI=1S/C99H68N2/c1-11-31-73(32-12-1)97(74-33-13-2-14-34-74)91-63-69(71-53-59-87-89-61-55-83(100(79-43-23-7-24-44-79)80-45-25-8-26-46-80)67-95(89)98(93(87)65-71,75-35-15-3-16-36-75)76-37-17-4-18-38-76)51-57-85(91)86-58-52-70(64-92(86)97)72-54-60-88-90-62-56-84(101(81-47-27-9-28-48-81)82-49-29-10-30-50-82)68-96(90)99(94(88)66-72,77-39-19-5-20-40-77)78-41-21-6-22-42-78/h1-68H
• InChIKey: SFKHMQDHKAVKCS-UHFFFAOYSA-N
• XLogP: 25.05
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1285.65
LogP ≤ 5	25.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine?

The IUPAC name of 7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine (CID 101429725) is 7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine.

What is the SMILES notation for 7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine?

The canonical SMILES for 7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)ccc4-5)ccc2-3)cc1.

What is the InChIKey of 7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine?

The InChIKey is SFKHMQDHKAVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H68N2/c1-11-31-73(32-12-1)97(74-33-13-2-14-34-74)91-63-69(71-53-59-87-89-61-55-83(100(79-43-23-7-24-44-79)80-45-25-8-26-46-80)67-95(89)98(93(87)65-71,75-35-15-3-16-36-75)76-37-17-4-18-38-76)51-57-85(91)86-58-52-70(64-92(86)97)72-54-60-88-90-62-56-84(101(81-47-27-9-28-48-81)82-49-29-10-30-50-82)68-96(90)99(94(88)66-72,77-39-19-5-20-40-77)78-41-21-6-22-42-78/h1-68H.

What are the key properties of 7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine?

7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine has a molecular weight of 1285.65 g/mol, XLogP of 25.05, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine is sourced from PubChem (CID 101429725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).