2,5-dibromo-9,9-bis(4-methylphenyl)fluorene

C27H20Br2 — CID 91316230

IUPAC2,5-dibromo-9,9-bis(4-methylphenyl)fluorene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3cc(Br)ccc3-c3c(Br)cccc32)cc1
InChIInChI=1S/C27H20Br2/c1-17-6-10-19(11-7-17)27(20-12-8-18(2)9-13-20)23-4-3-5-25(29)26(23)22-15-14-21(28)16-24(22)27/h3-16H,1-2H3
InChIKeyFTDYYIKFUMURSJ-UHFFFAOYSA-N
MW504.27 g/mol
LogP8.19
Rot. Bonds2

About 2,5-dibromo-9,9-bis(4-methylphenyl)fluorene

2,5-dibromo-9,9-bis(4-methylphenyl)fluorene (PubChem CID 91316230) has the molecular formula C27H20Br2 and a molecular weight of 504.27 g/mol. Its IUPAC name is 2,5-dibromo-9,9-bis(4-methylphenyl)fluorene.

Molecular Properties

Compound Name2,5-dibromo-9,9-bis(4-methylphenyl)fluorene
PubChem CID91316230
Molecular FormulaC27H20Br2
Molecular Weight504.27 g/mol
Exact Mass501.99
IUPAC Name2,5-dibromo-9,9-bis(4-methylphenyl)fluorene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3cc(Br)ccc3-c3c(Br)cccc32)cc1
InChIInChI=1S/C27H20Br2/c1-17-6-10-19(11-7-17)27(20-12-8-18(2)9-13-20)23-4-3-5-25(29)26(23)22-15-14-21(28)16-24(22)27/h3-16H,1-2H3
InChIKeyFTDYYIKFUMURSJ-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-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
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-bromo-5-methyl-9-(4-methylcyclohexa-1,5-dien-1-yl)-9-(4-methylphenyl)fluorene
CID 91027448
9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene
CID 154966229
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651
2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];11'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];11'-bromo-17'-methylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene];17'-bromo-10'-methylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]
CID 158023703
4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol
CID 174433449
ethane;4-methyl-9,9-bis(4-methylphenyl)fluorene
CID 144938887
2,2',4,4',7,7'-hexabromo-9,9'-spirobi[fluorene]
CID 15375393
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-9,9-bis(4-methylphenyl)fluorene?
The IUPAC name of 2,5-dibromo-9,9-bis(4-methylphenyl)fluorene (CID 91316230) is 2,5-dibromo-9,9-bis(4-methylphenyl)fluorene.
What is the SMILES notation for 2,5-dibromo-9,9-bis(4-methylphenyl)fluorene?
The canonical SMILES for 2,5-dibromo-9,9-bis(4-methylphenyl)fluorene is Cc1ccc(C2(c3ccc(C)cc3)c3cc(Br)ccc3-c3c(Br)cccc32)cc1.
What is the InChIKey of 2,5-dibromo-9,9-bis(4-methylphenyl)fluorene?
The InChIKey is FTDYYIKFUMURSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Br2/c1-17-6-10-19(11-7-17)27(20-12-8-18(2)9-13-20)23-4-3-5-25(29)26(23)22-15-14-21(28)16-24(22)27/h3-16H,1-2H3.
What are the key properties of 2,5-dibromo-9,9-bis(4-methylphenyl)fluorene?
2,5-dibromo-9,9-bis(4-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 2,5-dibromo-9,9-bis(4-methylphenyl)fluorene is sourced from PubChem (CID 91316230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).