9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene

C32H25BrO — CID 154966229

IUPAC9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene
SMILESCOc1cc2c(c3ccccc13)-c1ccc(Br)cc1C2(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C32H25BrO/c1-20-8-12-22(13-9-20)32(23-14-10-21(2)11-15-23)28-18-24(33)16-17-27(28)31-26-7-5-4-6-25(26)30(34-3)19-29(31)32/h4-19H,1-3H3
InChIKeyLFZJVRATENWOQL-UHFFFAOYSA-N
MW505.46 g/mol
LogP8.59
Rot. Bonds3

About 9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene

9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene (PubChem CID 154966229) has the molecular formula C32H25BrO and a molecular weight of 505.46 g/mol. Its IUPAC name is 9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene.

Molecular Properties

Compound Name9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene
PubChem CID154966229
Molecular FormulaC32H25BrO
Molecular Weight505.46 g/mol
Exact Mass504.11
IUPAC Name9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene
SMILESCOc1cc2c(c3ccccc13)-c1ccc(Br)cc1C2(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C32H25BrO/c1-20-8-12-22(13-9-20)32(23-14-10-21(2)11-15-23)28-18-24(33)16-17-27(28)31-26-7-5-4-6-25(26)30(34-3)19-29(31)32/h4-19H,1-3H3
InChIKeyLFZJVRATENWOQL-UHFFFAOYSA-N
XLogP8.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.46
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene?
The IUPAC name of 9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene (CID 154966229) is 9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene.
What is the SMILES notation for 9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene?
The canonical SMILES for 9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene is COc1cc2c(c3ccccc13)-c1ccc(Br)cc1C2(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene?
The InChIKey is LFZJVRATENWOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25BrO/c1-20-8-12-22(13-9-20)32(23-14-10-21(2)11-15-23)28-18-24(33)16-17-27(28)31-26-7-5-4-6-25(26)30(34-3)19-29(31)32/h4-19H,1-3H3.
What are the key properties of 9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene?
9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene has a molecular weight of 505.46 g/mol, XLogP of 8.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene is sourced from PubChem (CID 154966229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).