2,7-dibromo-9,9-bis(3-methylphenyl)fluorene

C27H20Br2 — CID 58371139

IUPAC2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
SMILESCc1cccc(C2(c3cccc(C)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C27H20Br2/c1-17-5-3-7-19(13-17)27(20-8-4-6-18(2)14-20)25-15-21(28)9-11-23(25)24-12-10-22(29)16-26(24)27/h3-16H,1-2H3
InChIKeyHPUKFZBLJUEPFU-UHFFFAOYSA-N
MW504.27 g/mol
LogP8.19
Rot. Bonds2

About 2,7-dibromo-9,9-bis(3-methylphenyl)fluorene

2,7-dibromo-9,9-bis(3-methylphenyl)fluorene (PubChem CID 58371139) has the molecular formula C27H20Br2 and a molecular weight of 504.27 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis(3-methylphenyl)fluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
PubChem CID58371139
Molecular FormulaC27H20Br2
Molecular Weight504.27 g/mol
Exact Mass501.99
IUPAC Name2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
SMILESCc1cccc(C2(c3cccc(C)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C27H20Br2/c1-17-5-3-7-19(13-17)27(20-8-4-6-18(2)14-20)25-15-21(28)9-11-23(25)24-12-10-22(29)16-26(24)27/h3-16H,1-2H3
InChIKeyHPUKFZBLJUEPFU-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.27
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651
2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene
CID 129015680
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol
CID 174433449
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59398831
2,5-dibromo-9,9-bis(4-methylphenyl)fluorene
CID 91316230
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene
CID 123298937
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis(3-methylphenyl)fluorene?
The IUPAC name of 2,7-dibromo-9,9-bis(3-methylphenyl)fluorene (CID 58371139) is 2,7-dibromo-9,9-bis(3-methylphenyl)fluorene.
What is the SMILES notation for 2,7-dibromo-9,9-bis(3-methylphenyl)fluorene?
The canonical SMILES for 2,7-dibromo-9,9-bis(3-methylphenyl)fluorene is Cc1cccc(C2(c3cccc(C)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.
What is the InChIKey of 2,7-dibromo-9,9-bis(3-methylphenyl)fluorene?
The InChIKey is HPUKFZBLJUEPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Br2/c1-17-5-3-7-19(13-17)27(20-8-4-6-18(2)14-20)25-15-21(28)9-11-23(25)24-12-10-22(29)16-26(24)27/h3-16H,1-2H3.
What are the key properties of 2,7-dibromo-9,9-bis(3-methylphenyl)fluorene?
2,7-dibromo-9,9-bis(3-methylphenyl)fluorene has a molecular weight of 504.27 g/mol, XLogP of 8.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-bis(3-methylphenyl)fluorene is sourced from PubChem (CID 58371139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).