2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran

C35H33Br2NO2 — CID 160606015

IUPAC2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran
SMILESBrc1ccc2c(c1)Cc1ccccc1-2.Brc1ccc2c3ccccc3n(C3CCCCO3)c2c1.C1=COCCC1
InChIInChI=1S/C17H16BrNO.C13H9Br.C5H8O/c18-12-8-9-14-13-5-1-2-6-15(13)19(16(14)11-12)17-7-3-4-10-20-17;14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;1-2-4-6-5-3-1/h1-2,5-6,8-9,11,17H,3-4,7,10H2;1-6,8H,7H2;2,4H,1,3,5H2
InChIKeyREWLVINTLPHTTM-UHFFFAOYSA-N
MW659.46 g/mol
LogP10.59
Rot. Bonds1

About 2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran

2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran (PubChem CID 160606015) has the molecular formula C35H33Br2NO2 and a molecular weight of 659.46 g/mol. Its IUPAC name is 2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran
PubChem CID160606015
Molecular FormulaC35H33Br2NO2
Molecular Weight659.46 g/mol
Exact Mass657.09
IUPAC Name2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran
SMILESBrc1ccc2c(c1)Cc1ccccc1-2.Brc1ccc2c3ccccc3n(C3CCCCO3)c2c1.C1=COCCC1
InChIInChI=1S/C17H16BrNO.C13H9Br.C5H8O/c18-12-8-9-14-13-5-1-2-6-15(13)19(16(14)11-12)17-7-3-4-10-20-17;14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;1-2-4-6-5-3-1/h1-2,5-6,8-9,11,17H,3-4,7,10H2;1-6,8H,7H2;2,4H,1,3,5H2
InChIKeyREWLVINTLPHTTM-UHFFFAOYSA-N
XLogP10.59
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.46
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran?
The IUPAC name of 2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran (CID 160606015) is 2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran?
The canonical SMILES for 2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran is Brc1ccc2c(c1)Cc1ccccc1-2.Brc1ccc2c3ccccc3n(C3CCCCO3)c2c1.C1=COCCC1.
What is the InChIKey of 2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran?
The InChIKey is REWLVINTLPHTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO.C13H9Br.C5H8O/c18-12-8-9-14-13-5-1-2-6-15(13)19(16(14)11-12)17-7-3-4-10-20-17;14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13;1-2-4-6-5-3-1/h1-2,5-6,8-9,11,17H,3-4,7,10H2;1-6,8H,7H2;2,4H,1,3,5H2.
What are the key properties of 2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran?
2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran has a molecular weight of 659.46 g/mol, XLogP of 10.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9H-fluorene;2-bromo-9-(oxan-2-yl)carbazole;3,4-dihydro-2H-pyran is sourced from PubChem (CID 160606015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).