8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene

C25H19Cl — CID 167232523

IUPAC8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene
SMILESCC1(C)c2c(Cl)cccc2-c2c(-c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C25H19Cl/c1-25(2)20-12-6-10-17-14-15-18(16-8-4-3-5-9-16)23(22(17)20)19-11-7-13-21(26)24(19)25/h3-15H,1-2H3
InChIKeyUNBWUKIHTFKRBU-UHFFFAOYSA-N
MW354.88 g/mol
LogP7.47
Rot. Bonds1

About 8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene

8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene (PubChem CID 167232523) has the molecular formula C25H19Cl and a molecular weight of 354.88 g/mol. Its IUPAC name is 8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene.

Molecular Properties

Compound Name8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene
PubChem CID167232523
Molecular FormulaC25H19Cl
Molecular Weight354.88 g/mol
Exact Mass354.12
IUPAC Name8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene
SMILESCC1(C)c2c(Cl)cccc2-c2c(-c3ccccc3)ccc3cccc1c23
InChIInChI=1S/C25H19Cl/c1-25(2)20-12-6-10-17-14-15-18(16-8-4-3-5-9-16)23(22(17)20)19-11-7-13-21(26)24(19)25/h3-15H,1-2H3
InChIKeyUNBWUKIHTFKRBU-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,7-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]phenalen-9-amine
CID 167232028
7-chloro-11,11-dimethylbenzo[a]fluorene
CID 159699272
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232102
7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene
CID 138461897
N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232505
7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232157
12,12,22,22-tetramethyl-5-phenyl-14-(12,12,22,22-tetramethyl-14-phenyl-5-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaenyl)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
CID 59147761
7,7-dimethyl-N-naphthalen-2-yl-8-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232111
7-(9,9-dimethylfluoren-2-yl)-10-phenylfluoranthene
CID 170668000
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167232152
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline
CID 167232184

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene?
The IUPAC name of 8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene (CID 167232523) is 8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene.
What is the SMILES notation for 8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene?
The canonical SMILES for 8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene is CC1(C)c2c(Cl)cccc2-c2c(-c3ccccc3)ccc3cccc1c23.
What is the InChIKey of 8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene?
The InChIKey is UNBWUKIHTFKRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl/c1-25(2)20-12-6-10-17-14-15-18(16-8-4-3-5-9-16)23(22(17)20)19-11-7-13-21(26)24(19)25/h3-15H,1-2H3.
What are the key properties of 8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene?
8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene has a molecular weight of 354.88 g/mol, XLogP of 7.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene is sourced from PubChem (CID 167232523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).