4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one

C34H22BrNO — CID 123714243

IUPAC4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one
SMILESC=C(C)c1ccc2c(c1)c1cc(-c3cccc4c3-c3c(Br)cccc3C4=O)ccc1n2-c1ccccc1
InChIInChI=1S/C34H22BrNO/c1-20(2)21-14-16-30-27(18-21)28-19-22(15-17-31(28)36(30)23-8-4-3-5-9-23)24-10-6-11-25-32(24)33-26(34(25)37)12-7-13-29(33)35/h3-19H,1H2,2H3
InChIKeyALGGRJJKUZMJNY-UHFFFAOYSA-N
MW540.46 g/mol
LogP9.46
Rot. Bonds3

About 4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one

4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one (PubChem CID 123714243) has the molecular formula C34H22BrNO and a molecular weight of 540.46 g/mol. Its IUPAC name is 4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one.

Molecular Properties

Compound Name4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one
PubChem CID123714243
Molecular FormulaC34H22BrNO
Molecular Weight540.46 g/mol
Exact Mass539.09
IUPAC Name4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one
SMILESC=C(C)c1ccc2c(c1)c1cc(-c3cccc4c3-c3c(Br)cccc3C4=O)ccc1n2-c1ccccc1
InChIInChI=1S/C34H22BrNO/c1-20(2)21-14-16-30-27(18-21)28-19-22(15-17-31(28)36(30)23-8-4-3-5-9-23)24-10-6-11-25-32(24)33-26(34(25)37)12-7-13-29(33)35/h3-19H,1H2,2H3
InChIKeyALGGRJJKUZMJNY-UHFFFAOYSA-N
XLogP9.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.46
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one?
The IUPAC name of 4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one (CID 123714243) is 4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one.
What is the SMILES notation for 4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one?
The canonical SMILES for 4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one is C=C(C)c1ccc2c(c1)c1cc(-c3cccc4c3-c3c(Br)cccc3C4=O)ccc1n2-c1ccccc1.
What is the InChIKey of 4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one?
The InChIKey is ALGGRJJKUZMJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22BrNO/c1-20(2)21-14-16-30-27(18-21)28-19-22(15-17-31(28)36(30)23-8-4-3-5-9-23)24-10-6-11-25-32(24)33-26(34(25)37)12-7-13-29(33)35/h3-19H,1H2,2H3.
What are the key properties of 4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one?
4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one has a molecular weight of 540.46 g/mol, XLogP of 9.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(9-phenyl-6-prop-1-en-2-ylcarbazol-3-yl)fluoren-9-one is sourced from PubChem (CID 123714243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).