2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene

C31H23Br — CID 66667960

IUPAC2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/C31H23Br/c1-31(2)29-18-25(13-15-27(29)28-16-14-26(32)19-30(28)31)22-9-7-21(8-10-22)24-12-11-20-5-3-4-6-23(20)17-24/h3-19H,1-2H3
InChIKeyZRQSZECQPRNEQA-UHFFFAOYSA-N
MW475.43 g/mol
LogP9.24
Rot. Bonds2

About 2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene

2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene (PubChem CID 66667960) has the molecular formula C31H23Br and a molecular weight of 475.43 g/mol. Its IUPAC name is 2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene.

Molecular Properties

Compound Name2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
PubChem CID66667960
Molecular FormulaC31H23Br
Molecular Weight475.43 g/mol
Exact Mass474.10
IUPAC Name2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/C31H23Br/c1-31(2)29-18-25(13-15-27(29)28-16-14-26(32)19-30(28)31)22-9-7-21(8-10-22)24-12-11-20-5-3-4-6-23(20)17-24/h3-19H,1-2H3
InChIKeyZRQSZECQPRNEQA-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.43
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
CID 171571856
9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217060
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene?
The IUPAC name of 2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene (CID 66667960) is 2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene.
What is the SMILES notation for 2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene?
The canonical SMILES for 2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene is CC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc21.
What is the InChIKey of 2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene?
The InChIKey is ZRQSZECQPRNEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23Br/c1-31(2)29-18-25(13-15-27(29)28-16-14-26(32)19-30(28)31)22-9-7-21(8-10-22)24-12-11-20-5-3-4-6-23(20)17-24/h3-19H,1-2H3.
What are the key properties of 2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene?
2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene has a molecular weight of 475.43 g/mol, XLogP of 9.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene is sourced from PubChem (CID 66667960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).