2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene

C31H22Br2 — CID 22358360

IUPAC2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene
SMILESBrc1ccc2c(c1)C(C(C1=CC=CC1)(c1ccccc1)c1ccccc1)c1cc(Br)ccc1-2
InChIInChI=1S/C31H22Br2/c32-24-15-17-26-27-18-16-25(33)20-29(27)30(28(26)19-24)31(23-13-7-8-14-23,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,15-20,30H,14H2
InChIKeyHVOKUYAQXAXXRQ-UHFFFAOYSA-N
MW554.33 g/mol
LogP9.20
Rot. Bonds4

About 2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene

2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene (PubChem CID 22358360) has the molecular formula C31H22Br2 and a molecular weight of 554.33 g/mol. Its IUPAC name is 2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene
PubChem CID22358360
Molecular FormulaC31H22Br2
Molecular Weight554.33 g/mol
Exact Mass552.01
IUPAC Name2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene
SMILESBrc1ccc2c(c1)C(C(C1=CC=CC1)(c1ccccc1)c1ccccc1)c1cc(Br)ccc1-2
InChIInChI=1S/C31H22Br2/c32-24-15-17-26-27-18-16-25(33)20-29(27)30(28(26)19-24)31(23-13-7-8-14-23,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,15-20,30H,14H2
InChIKeyHVOKUYAQXAXXRQ-UHFFFAOYSA-N
XLogP9.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.33
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-ditert-butyl-9-[cyclopenta-1,3-dien-1-yl-bis(4-fluorophenyl)methyl]-9H-fluorene
CID 170908798
2,7-dibromo-1-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene;zirconium;dihydrochloride
CID 173345938
2,7-dibromo-9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
CID 67039931
[1-[(4-bromophenyl)methyl]triazol-4-yl]-cyclopenta-1,3-dien-1-yl-phenylmethanol
CID 139220279
(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163273815
2-tert-butyl-7-methyl-9-[(4-pentylcyclopenta-1,3-dien-1-yl)-diphenylmethyl]-9H-fluorene
CID 158591198
9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene
CID 57275436
1-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-2,7-diphenyl-9H-fluorene;zirconium
CID 173284032
2-bromo-9H-fluoren-9-amine
CID 71174476
[(9S,10S)-2,7-dibromo-10-[dimethyl(phenyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy-dimethyl-phenylsilane
CID 67424912
9-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(hex-1-ynyl)-9H-fluorene
CID 57245505
(1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol
CID 139220281

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene?
The IUPAC name of 2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene (CID 22358360) is 2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene.
What is the SMILES notation for 2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene?
The canonical SMILES for 2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene is Brc1ccc2c(c1)C(C(C1=CC=CC1)(c1ccccc1)c1ccccc1)c1cc(Br)ccc1-2.
What is the InChIKey of 2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene?
The InChIKey is HVOKUYAQXAXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22Br2/c32-24-15-17-26-27-18-16-25(33)20-29(27)30(28(26)19-24)31(23-13-7-8-14-23,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,15-20,30H,14H2.
What are the key properties of 2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene?
2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene has a molecular weight of 554.33 g/mol, XLogP of 9.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene is sourced from PubChem (CID 22358360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).