9,10-dibenzyl-9,10-dihydroanthracene

C28H24 — CID 563768

IUPAC9,10-dibenzyl-9,10-dihydroanthracene
SMILESc1ccc(CC2c3ccccc3C(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C28H24/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)28(20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18,27-28H,19-20H2
InChIKeyPDIQFBCGWRYHDH-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.75
Rot. Bonds4

About 9,10-dibenzyl-9,10-dihydroanthracene

9,10-dibenzyl-9,10-dihydroanthracene (PubChem CID 563768) has the molecular formula C28H24 and a molecular weight of 360.50 g/mol. Its IUPAC name is 9,10-dibenzyl-9,10-dihydroanthracene.

Molecular Properties

Compound Name9,10-dibenzyl-9,10-dihydroanthracene
PubChem CID563768
Molecular FormulaC28H24
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Name9,10-dibenzyl-9,10-dihydroanthracene
SMILESc1ccc(CC2c3ccccc3C(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C28H24/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)28(20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18,27-28H,19-20H2
InChIKeyPDIQFBCGWRYHDH-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
7,12-Dimethylbenz(a)anthracene
CID 6001
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Indeno(1,2,3-cd)pyrene
CID 9131
Chrysene
CID 9171
1-Methylpyrene
CID 16932
Dibenzo(a,l)pyrene
CID 9119

Frequently Asked Questions

What is the IUPAC name of 9,10-dibenzyl-9,10-dihydroanthracene?
The IUPAC name of 9,10-dibenzyl-9,10-dihydroanthracene (CID 563768) is 9,10-dibenzyl-9,10-dihydroanthracene.
What is the SMILES notation for 9,10-dibenzyl-9,10-dihydroanthracene?
The canonical SMILES for 9,10-dibenzyl-9,10-dihydroanthracene is c1ccc(CC2c3ccccc3C(Cc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 9,10-dibenzyl-9,10-dihydroanthracene?
The InChIKey is PDIQFBCGWRYHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)28(20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18,27-28H,19-20H2.
What are the key properties of 9,10-dibenzyl-9,10-dihydroanthracene?
9,10-dibenzyl-9,10-dihydroanthracene has a molecular weight of 360.50 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibenzyl-9,10-dihydroanthracene is sourced from PubChem (CID 563768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).