4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one

C31H18BrNO — CID 90125841

IUPAC4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one
SMILESO=C1c2cccc(Br)c2-c2c1cccc2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C31H18BrNO/c32-26-14-7-13-24-30(26)29-21(11-6-12-23(29)31(24)34)19-16-17-28-25(18-19)22-10-4-5-15-27(22)33(28)20-8-2-1-3-9-20/h1-18H
InChIKeyUYYDRQPVVLVVPK-UHFFFAOYSA-N
MW500.40 g/mol
LogP8.42
Rot. Bonds2

About 4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one

4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one (PubChem CID 90125841) has the molecular formula C31H18BrNO and a molecular weight of 500.40 g/mol. Its IUPAC name is 4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one.

Molecular Properties

Compound Name4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one
PubChem CID90125841
Molecular FormulaC31H18BrNO
Molecular Weight500.40 g/mol
Exact Mass499.06
IUPAC Name4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one
SMILESO=C1c2cccc(Br)c2-c2c1cccc2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C31H18BrNO/c32-26-14-7-13-24-30(26)29-21(11-6-12-23(29)31(24)34)19-16-17-28-25(18-19)22-10-4-5-15-27(22)33(28)20-8-2-1-3-9-20/h1-18H
InChIKeyUYYDRQPVVLVVPK-UHFFFAOYSA-N
XLogP8.42
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.40
LogP ≤ 58.42
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-phenylcarbazol-3-yl)fluoren-9-one?
The IUPAC name of 4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one (CID 90125841) is 4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one.
What is the SMILES notation for 4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one?
The canonical SMILES for 4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one is O=C1c2cccc(Br)c2-c2c1cccc2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one?
The InChIKey is UYYDRQPVVLVVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18BrNO/c32-26-14-7-13-24-30(26)29-21(11-6-12-23(29)31(24)34)19-16-17-28-25(18-19)22-10-4-5-15-27(22)33(28)20-8-2-1-3-9-20/h1-18H.
What are the key properties of 4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one?
4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one has a molecular weight of 500.40 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(9-phenylcarbazol-3-yl)fluoren-9-one is sourced from PubChem (CID 90125841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).