9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate

C32H29NO4 — CID 171887623

IUPAC9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate
SMILESO=C(NCCC(O)C(O)c1ccc2c(c1)Cc1ccccc1-2)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H29NO4/c34-30(31(35)21-13-14-24-22(18-21)17-20-7-1-2-8-23(20)24)15-16-33-32(36)37-19-29-27-11-5-3-9-25(27)26-10-4-6-12-28(26)29/h1-14,18,29-31,34-35H,15-17,19H2,(H,33,36)
InChIKeyZOPCRBTYBAZMSQ-UHFFFAOYSA-N
MW491.59 g/mol
LogP5.58
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171887623) has the molecular formula C32H29NO4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate
PubChem CID171887623
Molecular FormulaC32H29NO4
Molecular Weight491.59 g/mol
Exact Mass491.21
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate
SMILESO=C(NCCC(O)C(O)c1ccc2c(c1)Cc1ccccc1-2)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H29NO4/c34-30(31(35)21-13-14-24-22(18-21)17-20-7-1-2-8-23(20)24)15-16-33-32(36)37-19-29-27-11-5-3-9-25(27)26-10-4-6-12-28(26)29/h1-14,18,29-31,34-35H,15-17,19H2,(H,33,36)
InChIKeyZOPCRBTYBAZMSQ-UHFFFAOYSA-N
XLogP5.58
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate
CID 171886819
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
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-(3,4,5-trichlorophenyl)butyl]carbamate
CID 171886456
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
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzene-1,3-dicarboxylic acid
CID 171887482
9H-fluoren-9-ylmethyl N-[4-(3-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886253
methyl 4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-2-hydroxybenzoate
CID 171887245
9H-fluoren-9-ylmethyl N-[4-(3,5-dichloro-4-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886457
9H-fluoren-9-ylmethyl N-[4-(3,5-dimethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886928
9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate
CID 171887128

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate (CID 171887623) is 9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate is O=C(NCCC(O)C(O)c1ccc2c(c1)Cc1ccccc1-2)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is ZOPCRBTYBAZMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO4/c34-30(31(35)21-13-14-24-22(18-21)17-20-7-1-2-8-23(20)24)15-16-33-32(36)37-19-29-27-11-5-3-9-25(27)26-10-4-6-12-28(26)29/h1-14,18,29-31,34-35H,15-17,19H2,(H,33,36).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 491.59 g/mol, XLogP of 5.58, 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-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171887623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).