1-(4-bromophenyl)-9,10-dihydroanthracene

C20H15Br — CID 57007724

IUPAC1-(4-bromophenyl)-9,10-dihydroanthracene
SMILESBrc1ccc(-c2cccc3c2Cc2ccccc2C3)cc1
InChIInChI=1S/C20H15Br/c21-18-10-8-14(9-11-18)19-7-3-6-17-12-15-4-1-2-5-16(15)13-20(17)19/h1-11H,12-13H2
InChIKeyLMMPKXHTWVRIDP-UHFFFAOYSA-N
MW335.24 g/mol
LogP5.61
Rot. Bonds1

About 1-(4-bromophenyl)-9,10-dihydroanthracene

1-(4-bromophenyl)-9,10-dihydroanthracene (PubChem CID 57007724) has the molecular formula C20H15Br and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-9,10-dihydroanthracene.

Molecular Properties

Compound Name1-(4-bromophenyl)-9,10-dihydroanthracene
PubChem CID57007724
Molecular FormulaC20H15Br
Molecular Weight335.24 g/mol
Exact Mass334.04
IUPAC Name1-(4-bromophenyl)-9,10-dihydroanthracene
SMILESBrc1ccc(-c2cccc3c2Cc2ccccc2C3)cc1
InChIInChI=1S/C20H15Br/c21-18-10-8-14(9-11-18)19-7-3-6-17-12-15-4-1-2-5-16(15)13-20(17)19/h1-11H,12-13H2
InChIKeyLMMPKXHTWVRIDP-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.24
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 161368209
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CID 174460318
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
4-(9H-fluoren-1-yl)benzonitrile
CID 154389455
3-[3-(4-bromophenyl)phenyl]-9,10-dihydrophenanthrene
CID 144639990
2-(9H-fluoren-1-yl)anthracene
CID 151119003
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
(4-bromophenyl)-(9H-fluoren-4-yl)methanone
CID 71390046
N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 157272103
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
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1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene
CID 22630429

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-9,10-dihydroanthracene?
The IUPAC name of 1-(4-bromophenyl)-9,10-dihydroanthracene (CID 57007724) is 1-(4-bromophenyl)-9,10-dihydroanthracene.
What is the SMILES notation for 1-(4-bromophenyl)-9,10-dihydroanthracene?
The canonical SMILES for 1-(4-bromophenyl)-9,10-dihydroanthracene is Brc1ccc(-c2cccc3c2Cc2ccccc2C3)cc1.
What is the InChIKey of 1-(4-bromophenyl)-9,10-dihydroanthracene?
The InChIKey is LMMPKXHTWVRIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br/c21-18-10-8-14(9-11-18)19-7-3-6-17-12-15-4-1-2-5-16(15)13-20(17)19/h1-11H,12-13H2.
What are the key properties of 1-(4-bromophenyl)-9,10-dihydroanthracene?
1-(4-bromophenyl)-9,10-dihydroanthracene has a molecular weight of 335.24 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-9,10-dihydroanthracene is sourced from PubChem (CID 57007724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).