acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate

C29H25NO4 — CID 66925363

IUPACacetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
SMILESCC(=O)O.O=C(Nc1ccccc1-c1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H21NO2.C2H4O2/c29-27(28-26-17-9-8-12-20(26)19-10-2-1-3-11-19)30-18-25-23-15-6-4-13-21(23)22-14-5-7-16-24(22)25;1-2(3)4/h1-17,25H,18H2,(H,28,29);1H3,(H,3,4)
InChIKeyQALBQWOXMBJRMS-UHFFFAOYSA-N
MW451.52 g/mol
LogP6.81
Rot. Bonds4

About acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate

acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate (PubChem CID 66925363) has the molecular formula C29H25NO4 and a molecular weight of 451.52 g/mol. Its IUPAC name is acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Nameacetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
PubChem CID66925363
Molecular FormulaC29H25NO4
Molecular Weight451.52 g/mol
Exact Mass451.18
IUPAC Nameacetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
SMILESCC(=O)O.O=C(Nc1ccccc1-c1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H21NO2.C2H4O2/c29-27(28-26-17-9-8-12-20(26)19-10-2-1-3-11-19)30-18-25-23-15-6-4-13-21(23)22-14-5-7-16-24(22)25;1-2(3)4/h1-17,25H,18H2,(H,28,29);1H3,(H,3,4)
InChIKeyQALBQWOXMBJRMS-UHFFFAOYSA-N
XLogP6.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylphenyl]propanoic acid
CID 154810049
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbenzoic acid
CID 22569039
9H-fluoren-9-ylmethyl N-(2,4,5-trimethylphenyl)carbamate
CID 143777566
2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate
CID 6958000
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid
CID 46737340
pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate
CID 163634504
9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
CID 131725247
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybenzoic acid
CID 22569049
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-[2-(4-phenylphenyl)phenyl]carbamate
CID 69311024
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035

Frequently Asked Questions

What is the IUPAC name of acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate?
The IUPAC name of acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate (CID 66925363) is acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate.
What is the SMILES notation for acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate?
The canonical SMILES for acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate is CC(=O)O.O=C(Nc1ccccc1-c1ccccc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate?
The InChIKey is QALBQWOXMBJRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO2.C2H4O2/c29-27(28-26-17-9-8-12-20(26)19-10-2-1-3-11-19)30-18-25-23-15-6-4-13-21(23)22-14-5-7-16-24(22)25;1-2(3)4/h1-17,25H,18H2,(H,28,29);1H3,(H,3,4).
What are the key properties of acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate?
acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate has a molecular weight of 451.52 g/mol, XLogP of 6.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 66925363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).