9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene

C28H22 — CID 12596196

IUPAC9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene
SMILESc1ccc2c(c1)Cc1ccccc1C2C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C28H22/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28/h1-16,27-28H,17-18H2
InChIKeyZREHFFRHIVSCDJ-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.46
Rot. Bonds1

About 9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene

9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene (PubChem CID 12596196) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene.

Molecular Properties

Compound Name9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene
PubChem CID12596196
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene
SMILESc1ccc2c(c1)Cc1ccccc1C2C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C28H22/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28/h1-16,27-28H,17-18H2
InChIKeyZREHFFRHIVSCDJ-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.46
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-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene?
The IUPAC name of 9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene (CID 12596196) is 9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene.
What is the SMILES notation for 9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene?
The canonical SMILES for 9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene is c1ccc2c(c1)Cc1ccccc1C2C1c2ccccc2Cc2ccccc21.
What is the InChIKey of 9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene?
The InChIKey is ZREHFFRHIVSCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28/h1-16,27-28H,17-18H2.
What are the key properties of 9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene?
9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene has a molecular weight of 358.48 g/mol, XLogP of 6.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracene is sourced from PubChem (CID 12596196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).