N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide

C41H32N2O4 — CID 158305023

IUPACN-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(C)=O)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C41H32N2O4/c1-27(44)42-31-15-23-35(24-16-31)46-33-19-11-29(12-20-33)41(39-9-5-3-7-37(39)38-8-4-6-10-40(38)41)30-13-21-34(22-14-30)47-36-25-17-32(18-26-36)43-28(2)45/h3-26H,1-2H3,(H,42,44)(H,43,45)
InChIKeyLAFXMZHDIUIHPX-UHFFFAOYSA-N
MW616.72 g/mol
LogP9.55
Rot. Bonds8

About N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide

N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide (PubChem CID 158305023) has the molecular formula C41H32N2O4 and a molecular weight of 616.72 g/mol. Its IUPAC name is N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
PubChem CID158305023
Molecular FormulaC41H32N2O4
Molecular Weight616.72 g/mol
Exact Mass616.24
IUPAC NameN-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(C)=O)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C41H32N2O4/c1-27(44)42-31-15-23-35(24-16-31)46-33-19-11-29(12-20-33)41(39-9-5-3-7-37(39)38-8-4-6-10-40(38)41)30-13-21-34(22-14-30)47-36-25-17-32(18-26-36)43-28(2)45/h3-26H,1-2H3,(H,42,44)(H,43,45)
InChIKeyLAFXMZHDIUIHPX-UHFFFAOYSA-N
XLogP9.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 59.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide
CID 123893670
2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide
CID 5144986
(2R)-2-chloro-N-[4-[9-[4-[[(2R)-2-chloropropanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide
CID 99129240
methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate
CID 89179982
(2R)-2-(3-methylphenoxy)-N-[4-[9-[4-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide
CID 99650429
phenoxybenzene;N-phenylacetamide
CID 174350344
4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide
CID 3404404
tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate
CID 68898007
[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
CID 142193506
N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline
CID 18790916
4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile
CID 16744152
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide?
The IUPAC name of N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide (CID 158305023) is N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(C)=O)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide?
The InChIKey is LAFXMZHDIUIHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2O4/c1-27(44)42-31-15-23-35(24-16-31)46-33-19-11-29(12-20-33)41(39-9-5-3-7-37(39)38-8-4-6-10-40(38)41)30-13-21-34(22-14-30)47-36-25-17-32(18-26-36)43-28(2)45/h3-26H,1-2H3,(H,42,44)(H,43,45).
What are the key properties of N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide?
N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide has a molecular weight of 616.72 g/mol, XLogP of 9.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide is sourced from PubChem (CID 158305023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).