N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide

C42H27NO3 — CID 70378665

IUPACN,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide
SMILESO=C(C1c2ccccc2-c2ccccc21)N(C(=O)C1c2ccccc2-c2ccccc21)C(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C42H27NO3/c44-40(37-31-19-7-1-13-25(31)26-14-2-8-20-32(26)37)43(41(45)38-33-21-9-3-15-27(33)28-16-4-10-22-34(28)38)42(46)39-35-23-11-5-17-29(35)30-18-6-12-24-36(30)39/h1-24,37-39H
InChIKeyXZKYAQBTACHFAS-UHFFFAOYSA-N
MW593.68 g/mol
LogP8.31
Rot. Bonds3

About N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide

N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide (PubChem CID 70378665) has the molecular formula C42H27NO3 and a molecular weight of 593.68 g/mol. Its IUPAC name is N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide
PubChem CID70378665
Molecular FormulaC42H27NO3
Molecular Weight593.68 g/mol
Exact Mass593.20
IUPAC NameN,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide
SMILESO=C(C1c2ccccc2-c2ccccc21)N(C(=O)C1c2ccccc2-c2ccccc21)C(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C42H27NO3/c44-40(37-31-19-7-1-13-25(31)26-14-2-8-20-32(26)37)43(41(45)38-33-21-9-3-15-27(33)28-16-4-10-22-34(28)38)42(46)39-35-23-11-5-17-29(35)30-18-6-12-24-36(30)39/h1-24,37-39H
InChIKeyXZKYAQBTACHFAS-UHFFFAOYSA-N
XLogP8.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.68
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide?
The IUPAC name of N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide (CID 70378665) is N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide is O=C(C1c2ccccc2-c2ccccc21)N(C(=O)C1c2ccccc2-c2ccccc21)C(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide?
The InChIKey is XZKYAQBTACHFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO3/c44-40(37-31-19-7-1-13-25(31)26-14-2-8-20-32(26)37)43(41(45)38-33-21-9-3-15-27(33)28-16-4-10-22-34(28)38)42(46)39-35-23-11-5-17-29(35)30-18-6-12-24-36(30)39/h1-24,37-39H.
What are the key properties of N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide?
N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide has a molecular weight of 593.68 g/mol, XLogP of 8.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 70378665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).