2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene

C27H22Br2 — CID 67039931

IUPAC2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
SMILESCC(C)(C1=CC(c2ccccc2)=CC1)C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C27H22Br2/c1-27(2,19-9-8-18(14-19)17-6-4-3-5-7-17)26-24-15-20(28)10-12-22(24)23-13-11-21(29)16-25(23)26/h3-8,10-16,26H,9H2,1-2H3
InChIKeyHAMBTHNBPLNODW-UHFFFAOYSA-N
MW506.28 g/mol
LogP8.76
Rot. Bonds3

About 2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene

2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene (PubChem CID 67039931) has the molecular formula C27H22Br2 and a molecular weight of 506.28 g/mol. Its IUPAC name is 2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene.

Molecular Properties

Compound Name2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
PubChem CID67039931
Molecular FormulaC27H22Br2
Molecular Weight506.28 g/mol
Exact Mass504.01
IUPAC Name2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
SMILESCC(C)(C1=CC(c2ccccc2)=CC1)C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C27H22Br2/c1-27(2,19-9-8-18(14-19)17-6-4-3-5-7-17)26-24-15-20(28)10-12-22(24)23-13-11-21(29)16-25(23)26/h3-8,10-16,26H,9H2,1-2H3
InChIKeyHAMBTHNBPLNODW-UHFFFAOYSA-N
XLogP8.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.28
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene?
The IUPAC name of 2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene (CID 67039931) is 2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene.
What is the SMILES notation for 2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene?
The canonical SMILES for 2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene is CC(C)(C1=CC(c2ccccc2)=CC1)C1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene?
The InChIKey is HAMBTHNBPLNODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Br2/c1-27(2,19-9-8-18(14-19)17-6-4-3-5-7-17)26-24-15-20(28)10-12-22(24)23-13-11-21(29)16-25(23)26/h3-8,10-16,26H,9H2,1-2H3.
What are the key properties of 2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene?
2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene has a molecular weight of 506.28 g/mol, XLogP of 8.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene is sourced from PubChem (CID 67039931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).