2-bromo-9-(4-methylphenyl)-9-phenylfluorene

C26H19Br — CID 58174872

IUPAC2-bromo-9-(4-methylphenyl)-9-phenylfluorene
SMILESCc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C26H19Br/c1-18-11-13-20(14-12-18)26(19-7-3-2-4-8-19)24-10-6-5-9-22(24)23-16-15-21(27)17-25(23)26/h2-17H,1H3
InChIKeyDYTPLCDMSGDPGV-UHFFFAOYSA-N
MW411.34 g/mol
LogP7.12
Rot. Bonds2

About 2-bromo-9-(4-methylphenyl)-9-phenylfluorene

2-bromo-9-(4-methylphenyl)-9-phenylfluorene (PubChem CID 58174872) has the molecular formula C26H19Br and a molecular weight of 411.34 g/mol. Its IUPAC name is 2-bromo-9-(4-methylphenyl)-9-phenylfluorene.

Molecular Properties

Compound Name2-bromo-9-(4-methylphenyl)-9-phenylfluorene
PubChem CID58174872
Molecular FormulaC26H19Br
Molecular Weight411.34 g/mol
Exact Mass410.07
IUPAC Name2-bromo-9-(4-methylphenyl)-9-phenylfluorene
SMILESCc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C26H19Br/c1-18-11-13-20(14-12-18)26(19-7-3-2-4-8-19)24-10-6-5-9-22(24)23-16-15-21(27)17-25(23)26/h2-17H,1H3
InChIKeyDYTPLCDMSGDPGV-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.34
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
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',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2,5-dibromo-9,9-bis(4-methylphenyl)fluorene
CID 91316230
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-(4-methylphenyl)-9-phenylfluorene?
The IUPAC name of 2-bromo-9-(4-methylphenyl)-9-phenylfluorene (CID 58174872) is 2-bromo-9-(4-methylphenyl)-9-phenylfluorene.
What is the SMILES notation for 2-bromo-9-(4-methylphenyl)-9-phenylfluorene?
The canonical SMILES for 2-bromo-9-(4-methylphenyl)-9-phenylfluorene is Cc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 2-bromo-9-(4-methylphenyl)-9-phenylfluorene?
The InChIKey is DYTPLCDMSGDPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Br/c1-18-11-13-20(14-12-18)26(19-7-3-2-4-8-19)24-10-6-5-9-22(24)23-16-15-21(27)17-25(23)26/h2-17H,1H3.
What are the key properties of 2-bromo-9-(4-methylphenyl)-9-phenylfluorene?
2-bromo-9-(4-methylphenyl)-9-phenylfluorene has a molecular weight of 411.34 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-(4-methylphenyl)-9-phenylfluorene is sourced from PubChem (CID 58174872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).