9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene

C32H20Br4 — CID 164755474

IUPAC9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene
SMILESCc1ccc2c(c1)-c1c(-c3ccccc3)cccc1C2(c1cc(Br)cc(Br)c1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C32H20Br4/c1-19-10-11-29-28(12-19)31-27(20-6-3-2-4-7-20)8-5-9-30(31)32(29,21-13-23(33)17-24(34)14-21)22-15-25(35)18-26(36)16-22/h2-18H,1H3
InChIKeyXRFZABRRFWURKG-UHFFFAOYSA-N
MW724.13 g/mol
LogP11.08
Rot. Bonds3

About 9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene

9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene (PubChem CID 164755474) has the molecular formula C32H20Br4 and a molecular weight of 724.13 g/mol. Its IUPAC name is 9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene.

Molecular Properties

Compound Name9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene
PubChem CID164755474
Molecular FormulaC32H20Br4
Molecular Weight724.13 g/mol
Exact Mass719.83
IUPAC Name9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene
SMILESCc1ccc2c(c1)-c1c(-c3ccccc3)cccc1C2(c1cc(Br)cc(Br)c1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C32H20Br4/c1-19-10-11-29-28(12-19)31-27(20-6-3-2-4-7-20)8-5-9-30(31)32(29,21-13-23(33)17-24(34)14-21)22-15-25(35)18-26(36)16-22/h2-18H,1H3
InChIKeyXRFZABRRFWURKG-UHFFFAOYSA-N
XLogP11.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.13
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755332
9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
CID 164755492
9,9-bis(3,5-dibromophenyl)-2,5-diphenylfluorene
CID 164755471
9,9-bis(3,5-dibromophenyl)-5-phenylindeno[1,2-f][1,3]benzodioxole
CID 164755597
3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755543
9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 164755351
9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]
CID 164755510
9,9-bis(3,5-dibromophenyl)-5-(2-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
CID 164755562
ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 144938996
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene
CID 164755546
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
CID 164755528

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene?
The IUPAC name of 9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene (CID 164755474) is 9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene.
What is the SMILES notation for 9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene?
The canonical SMILES for 9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene is Cc1ccc2c(c1)-c1c(-c3ccccc3)cccc1C2(c1cc(Br)cc(Br)c1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene?
The InChIKey is XRFZABRRFWURKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20Br4/c1-19-10-11-29-28(12-19)31-27(20-6-3-2-4-7-20)8-5-9-30(31)32(29,21-13-23(33)17-24(34)14-21)22-15-25(35)18-26(36)16-22/h2-18H,1H3.
What are the key properties of 9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene?
9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene has a molecular weight of 724.13 g/mol, XLogP of 11.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene is sourced from PubChem (CID 164755474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).