4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one

C37H22BrNO — CID 118020086

IUPAC4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one
SMILESO=C1c2cccc(Br)c2-c2c1cccc2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C37H22BrNO/c38-32-16-8-15-29-36(32)35-27(13-7-14-28(35)37(29)40)25-18-20-34-31(22-25)30-21-24(23-9-3-1-4-10-23)17-19-33(30)39(34)26-11-5-2-6-12-26/h1-22H
InChIKeyNEOBZOCFHGKXAS-UHFFFAOYSA-N
MW576.49 g/mol
LogP10.09
Rot. Bonds3

About 4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one

4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one (PubChem CID 118020086) has the molecular formula C37H22BrNO and a molecular weight of 576.49 g/mol. Its IUPAC name is 4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one.

Molecular Properties

Compound Name4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one
PubChem CID118020086
Molecular FormulaC37H22BrNO
Molecular Weight576.49 g/mol
Exact Mass575.09
IUPAC Name4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one
SMILESO=C1c2cccc(Br)c2-c2c1cccc2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C37H22BrNO/c38-32-16-8-15-29-36(32)35-27(13-7-14-28(35)37(29)40)25-18-20-34-31(22-25)30-21-24(23-9-3-1-4-10-23)17-19-33(30)39(34)26-11-5-2-6-12-26/h1-22H
InChIKeyNEOBZOCFHGKXAS-UHFFFAOYSA-N
XLogP10.09
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.49
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one?
The IUPAC name of 4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one (CID 118020086) is 4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one.
What is the SMILES notation for 4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one?
The canonical SMILES for 4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one is O=C1c2cccc(Br)c2-c2c1cccc2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.
What is the InChIKey of 4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one?
The InChIKey is NEOBZOCFHGKXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22BrNO/c38-32-16-8-15-29-36(32)35-27(13-7-14-28(35)37(29)40)25-18-20-34-31(22-25)30-21-24(23-9-3-1-4-10-23)17-19-33(30)39(34)26-11-5-2-6-12-26/h1-22H.
What are the key properties of 4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one?
4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one has a molecular weight of 576.49 g/mol, XLogP of 10.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(6,9-diphenylcarbazol-3-yl)fluoren-9-one is sourced from PubChem (CID 118020086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).