9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate

C29H27NO4 — CID 171886819

IUPAC9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate
SMILESO=C(NCCC(O)C(O)c1ccc2ccccc2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C29H27NO4/c31-27(28(32)21-14-13-19-7-1-2-8-20(19)17-21)15-16-30-29(33)34-18-26-24-11-5-3-9-22(24)23-10-4-6-12-25(23)26/h1-14,17,26-28,31-32H,15-16,18H2,(H,30,33)
InChIKeyKUTVBHAEXSWWAR-UHFFFAOYSA-N
MW453.54 g/mol
LogP5.16
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate

9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate (PubChem CID 171886819) has the molecular formula C29H27NO4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate
PubChem CID171886819
Molecular FormulaC29H27NO4
Molecular Weight453.54 g/mol
Exact Mass453.19
IUPAC Name9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate
SMILESO=C(NCCC(O)C(O)c1ccc2ccccc2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C29H27NO4/c31-27(28(32)21-14-13-19-7-1-2-8-20(19)17-21)15-16-30-29(33)34-18-26-24-11-5-3-9-22(24)23-10-4-6-12-25(23)26/h1-14,17,26-28,31-32H,15-16,18H2,(H,30,33)
InChIKeyKUTVBHAEXSWWAR-UHFFFAOYSA-N
XLogP5.16
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate
CID 171886846
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171886469
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[4-(3,5-dimethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886928
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(3,4,5-trichlorophenyl)butyl]carbamate
CID 171886456
9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate
CID 171887623
9H-fluoren-9-ylmethyl N-[4-(2H-benzotriazol-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171886818
9H-fluoren-9-ylmethyl N-[4-(3-chloro-4-cyanophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886661
9H-fluoren-9-ylmethyl N-[4-[4-bromo-3-(trifluoromethyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171887778
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzene-1,3-dicarboxylic acid
CID 171887482
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-hydroxynaphthalen-2-yl)propyl]carbamate
CID 170834917
9H-fluoren-9-ylmethyl N-[4-(3-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886253

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate (CID 171886819) is 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate is O=C(NCCC(O)C(O)c1ccc2ccccc2c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate?
The InChIKey is KUTVBHAEXSWWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO4/c31-27(28(32)21-14-13-19-7-1-2-8-20(19)17-21)15-16-30-29(33)34-18-26-24-11-5-3-9-22(24)23-10-4-6-12-25(23)26/h1-14,17,26-28,31-32H,15-16,18H2,(H,30,33).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate?
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate has a molecular weight of 453.54 g/mol, XLogP of 5.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate is sourced from PubChem (CID 171886819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).