9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate

C30H30N2O4 — CID 170835559

IUPAC9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate
SMILESCc1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1
InChIInChI=1S/C30H30N2O4/c1-19-16-26(20(2)32(19)21-10-4-3-5-11-21)29(34)28(33)17-31-30(35)36-18-27-24-14-8-6-12-22(24)23-13-7-9-15-25(23)27/h3-16,27-29,33-34H,17-18H2,1-2H3,(H,31,35)
InChIKeyQPQMKZZCVICIBK-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.03
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170835559) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID170835559
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate
SMILESCc1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1
InChIInChI=1S/C30H30N2O4/c1-19-16-26(20(2)32(19)21-10-4-3-5-11-21)29(34)28(33)17-31-30(35)36-18-27-24-14-8-6-12-22(24)23-13-7-9-15-25(23)27/h3-16,27-29,33-34H,17-18H2,1-2H3,(H,31,35)
InChIKeyQPQMKZZCVICIBK-UHFFFAOYSA-N
XLogP5.03
TPSA83.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 170835564
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833729
9H-fluoren-9-ylmethyl N-[3-(2-chloro-3-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833706
9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833702
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833730
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833908
9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834230
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-4,5-dimethoxybenzoic acid
CID 170835112
9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170835560
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2,4-dihydroxybenzoic acid
CID 170834708
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate (CID 170835559) is 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate is Cc1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is QPQMKZZCVICIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-19-16-26(20(2)32(19)21-10-4-3-5-11-21)29(34)28(33)17-31-30(35)36-18-27-24-14-8-6-12-22(24)23-13-7-9-15-25(23)27/h3-16,27-29,33-34H,17-18H2,1-2H3,(H,31,35).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 482.58 g/mol, XLogP of 5.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170835559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).