9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate

C29H23NO3 — CID 87430743

IUPAC9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate
SMILESO=Cc1ccc(-c2cccc(CNC(=O)OCC3c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C29H23NO3/c31-18-20-12-14-22(15-13-20)23-7-5-6-21(16-23)17-30-29(32)33-19-28-26-10-3-1-8-24(26)25-9-2-4-11-27(25)28/h1-16,18,28H,17,19H2,(H,30,32)
InChIKeyDNLXCZHLXQEHIP-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.20
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate

9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate (PubChem CID 87430743) has the molecular formula C29H23NO3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate
PubChem CID87430743
Molecular FormulaC29H23NO3
Molecular Weight433.51 g/mol
Exact Mass433.17
IUPAC Name9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate
SMILESO=Cc1ccc(-c2cccc(CNC(=O)OCC3c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C29H23NO3/c31-18-20-12-14-22(15-13-20)23-7-5-6-21(16-23)17-30-29(32)33-19-28-26-10-3-1-8-24(26)25-9-2-4-11-27(25)28/h1-16,18,28H,17,19H2,(H,30,32)
InChIKeyDNLXCZHLXQEHIP-UHFFFAOYSA-N
XLogP6.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate
CID 11975088
sodium;3-bromobenzaldehyde;9H-fluoren-9-ylmethyl acetate;9H-fluoren-9-ylmethyl N-[[3-(hydroxymethyl)phenyl]methyl]carbamate;methane;oxido formate
CID 158699035
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid
CID 172639206
9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate
CID 135353911
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate
CID 170834973
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
CID 136547452
benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate
CID 164606401
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-formylphenyl)prop-2-enyl]carbamate
CID 169469433
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(4-methoxyphenyl)phenyl]propanoic acid
CID 177277599
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate (CID 87430743) is 9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate is O=Cc1ccc(-c2cccc(CNC(=O)OCC3c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate?
The InChIKey is DNLXCZHLXQEHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO3/c31-18-20-12-14-22(15-13-20)23-7-5-6-21(16-23)17-30-29(32)33-19-28-26-10-3-1-8-24(26)25-9-2-4-11-27(25)28/h1-16,18,28H,17,19H2,(H,30,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate?
9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate has a molecular weight of 433.51 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate is sourced from PubChem (CID 87430743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).