9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate

C31H27NO2 — CID 170493027

IUPAC9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate
SMILESO=C(NCCC=Cc1ccccc1-c1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C31H27NO2/c33-31(34-22-30-28-19-8-6-17-26(28)27-18-7-9-20-29(27)30)32-21-11-10-15-24-14-4-5-16-25(24)23-12-2-1-3-13-23/h1-10,12-20,30H,11,21-22H2,(H,32,33)
InChIKeyINDNSHQRHSVBEQ-UHFFFAOYSA-N
MW445.56 g/mol
LogP7.30
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate (PubChem CID 170493027) has the molecular formula C31H27NO2 and a molecular weight of 445.56 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate
PubChem CID170493027
Molecular FormulaC31H27NO2
Molecular Weight445.56 g/mol
Exact Mass445.20
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate
SMILESO=C(NCCC=Cc1ccccc1-c1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C31H27NO2/c33-31(34-22-30-28-19-8-6-17-26(28)27-18-7-9-20-29(27)30)32-21-11-10-15-24-14-4-5-16-25(24)23-12-2-1-3-13-23/h1-10,12-20,30H,11,21-22H2,(H,32,33)
InChIKeyINDNSHQRHSVBEQ-UHFFFAOYSA-N
XLogP7.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(2,3-diaminophenyl)but-3-enyl]carbamate
CID 170491888
9H-fluoren-9-ylmethyl N-[4-(3-fluoro-2-hydroxyphenyl)but-3-enyl]carbamate
CID 170491829
9H-fluoren-9-ylmethyl N-[4-(2-chloro-3-fluorophenyl)but-3-enyl]carbamate
CID 170491793
4-amino-3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-enyl]benzoic acid
CID 170492684
9H-fluoren-9-ylmethyl N-[4-[2-(dimethoxymethyl)phenyl]but-3-enyl]carbamate
CID 170492785
9H-fluoren-9-ylmethyl N-[4-(2,5-difluorophenyl)but-3-enyl]carbamate
CID 170491796
9H-fluoren-9-ylmethyl N-[4-[2-chloro-5-(hydroxymethyl)phenyl]but-3-enyl]carbamate
CID 170492130
9H-fluoren-9-ylmethyl N-[4-(1-aminoisoquinolin-4-yl)but-3-enyl]carbamate
CID 170492982
9H-fluoren-9-ylmethyl N-[4-(5-chloro-2-fluorophenyl)but-3-enyl]carbamate
CID 170491794
9H-fluoren-9-ylmethyl N-[4-(5-fluoro-2-hydroxyphenyl)but-3-enyl]carbamate
CID 170491827
9H-fluoren-9-ylmethyl N-[4-(4-fluoro-2-formylphenyl)but-3-enyl]carbamate
CID 170492113
3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-enyl]-4-fluorobenzoic acid
CID 170492492

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate (CID 170493027) is 9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate is O=C(NCCC=Cc1ccccc1-c1ccccc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate?
The InChIKey is INDNSHQRHSVBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO2/c33-31(34-22-30-28-19-8-6-17-26(28)27-18-7-9-20-29(27)30)32-21-11-10-15-24-14-4-5-16-25(24)23-12-2-1-3-13-23/h1-10,12-20,30H,11,21-22H2,(H,32,33).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate has a molecular weight of 445.56 g/mol, XLogP of 7.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(2-phenylphenyl)but-3-enyl]carbamate is sourced from PubChem (CID 170493027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).