2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene

C33H23Br — CID 171571856

IUPAC2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/C33H23Br/c1-33(2)31-18-21(12-15-28(31)29-16-13-22(34)19-32(29)33)20-11-14-27-25-9-4-3-7-23(25)24-8-5-6-10-26(24)30(27)17-20/h3-19H,1-2H3
InChIKeyYAWIJOMGBBHUQI-UHFFFAOYSA-N
MW499.45 g/mol
LogP9.88
Rot. Bonds1

About 2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene

2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene (PubChem CID 171571856) has the molecular formula C33H23Br and a molecular weight of 499.45 g/mol. Its IUPAC name is 2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene.

Molecular Properties

Compound Name2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
PubChem CID171571856
Molecular FormulaC33H23Br
Molecular Weight499.45 g/mol
Exact Mass498.10
IUPAC Name2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/C33H23Br/c1-33(2)31-18-21(12-15-28(31)29-16-13-22(34)19-32(29)33)20-11-14-27-25-9-4-3-7-23(25)24-8-5-6-10-26(24)30(27)17-20/h3-19H,1-2H3
InChIKeyYAWIJOMGBBHUQI-UHFFFAOYSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.45
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine
CID 171571853
2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
CID 66667960
2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene
CID 58569633
2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene
CID 58569367
3-bromo-7-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 130250823
3-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144872
3-(9,9-dimethyl-7-phenanthren-2-ylfluoren-2-yl)chrysene
CID 123538339
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
2-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]triphenylene;2-bromotriphenylene;4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane
CID 161045920
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-1-ylchrysene
CID 58511736
2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene
CID 123543063

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene?
The IUPAC name of 2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene (CID 171571856) is 2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene.
What is the SMILES notation for 2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene?
The canonical SMILES for 2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene is CC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc21.
What is the InChIKey of 2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene?
The InChIKey is YAWIJOMGBBHUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23Br/c1-33(2)31-18-21(12-15-28(31)29-16-13-22(34)19-32(29)33)20-11-14-27-25-9-4-3-7-23(25)24-8-5-6-10-26(24)30(27)17-20/h3-19H,1-2H3.
What are the key properties of 2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene?
2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene has a molecular weight of 499.45 g/mol, XLogP of 9.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene is sourced from PubChem (CID 171571856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).