6-bromo-7,8-dimethyl-2,2-diphenylchromene

C23H19BrO — CID 24764092

IUPAC6-bromo-7,8-dimethyl-2,2-diphenylchromene
SMILESCc1c(Br)cc2c(c1C)OC(c1ccccc1)(c1ccccc1)C=C2
InChIInChI=1S/C23H19BrO/c1-16-17(2)22-18(15-21(16)24)13-14-23(25-22,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15H,1-2H3
InChIKeyWRKSANKDUSNKBA-UHFFFAOYSA-N
MW391.31 g/mol
LogP6.42
Rot. Bonds2

About 6-bromo-7,8-dimethyl-2,2-diphenylchromene

6-bromo-7,8-dimethyl-2,2-diphenylchromene (PubChem CID 24764092) has the molecular formula C23H19BrO and a molecular weight of 391.31 g/mol. Its IUPAC name is 6-bromo-7,8-dimethyl-2,2-diphenylchromene.

Molecular Properties

Compound Name6-bromo-7,8-dimethyl-2,2-diphenylchromene
PubChem CID24764092
Molecular FormulaC23H19BrO
Molecular Weight391.31 g/mol
Exact Mass390.06
IUPAC Name6-bromo-7,8-dimethyl-2,2-diphenylchromene
SMILESCc1c(Br)cc2c(c1C)OC(c1ccccc1)(c1ccccc1)C=C2
InChIInChI=1S/C23H19BrO/c1-16-17(2)22-18(15-21(16)24)13-14-23(25-22,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15H,1-2H3
InChIKeyWRKSANKDUSNKBA-UHFFFAOYSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.31
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene
CID 101081523
(2,2-diphenylbenzo[h]chromen-6-yl)methanol
CID 132567770
5-methyl-2,2-diphenylbenzo[h]chromene
CID 23371123
N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline
CID 70344376
4-(2,2-diphenylchromen-6-yl)morpholine
CID 102389036
ethane;5-methyl-6-[(4-methylphenyl)methyl]-3,3-diphenylbenzo[f]chromene
CID 123566536
2,2,5-triphenylbenzo[h]chromene
CID 13007765
1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene
CID 101081527
19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene
CID 170219409
4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline
CID 102508230
4-N-(2,2-diphenylchromen-6-yl)benzene-1,4-diamine
CID 102077226
4-[4-[6-[2-(1,3,3,5,5-pentamethylcyclohexyl)phenyl]-2-phenylbenzo[h]chromen-2-yl]phenyl]morpholine
CID 130283528

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7,8-dimethyl-2,2-diphenylchromene?
The IUPAC name of 6-bromo-7,8-dimethyl-2,2-diphenylchromene (CID 24764092) is 6-bromo-7,8-dimethyl-2,2-diphenylchromene.
What is the SMILES notation for 6-bromo-7,8-dimethyl-2,2-diphenylchromene?
The canonical SMILES for 6-bromo-7,8-dimethyl-2,2-diphenylchromene is Cc1c(Br)cc2c(c1C)OC(c1ccccc1)(c1ccccc1)C=C2.
What is the InChIKey of 6-bromo-7,8-dimethyl-2,2-diphenylchromene?
The InChIKey is WRKSANKDUSNKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrO/c1-16-17(2)22-18(15-21(16)24)13-14-23(25-22,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15H,1-2H3.
What are the key properties of 6-bromo-7,8-dimethyl-2,2-diphenylchromene?
6-bromo-7,8-dimethyl-2,2-diphenylchromene has a molecular weight of 391.31 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7,8-dimethyl-2,2-diphenylchromene is sourced from PubChem (CID 24764092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).