12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline

C25H14ClN — CID 169081927

IUPAC12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline
SMILESClc1ccc(-c2c3c(nc4ccccc24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C25H14ClN/c26-17-13-11-16(12-14-17)23-18-7-1-2-10-21(18)27-25-20-9-4-6-15-5-3-8-19(22(15)20)24(23)25/h1-14H
InChIKeyVFLQSZSULQEBPI-UHFFFAOYSA-N
MW363.85 g/mol
LogP7.36
Rot. Bonds1

About 12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline

12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline (PubChem CID 169081927) has the molecular formula C25H14ClN and a molecular weight of 363.85 g/mol. Its IUPAC name is 12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline.

Molecular Properties

Compound Name12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline
PubChem CID169081927
Molecular FormulaC25H14ClN
Molecular Weight363.85 g/mol
Exact Mass363.08
IUPAC Name12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline
SMILESClc1ccc(-c2c3c(nc4ccccc24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C25H14ClN/c26-17-13-11-16(12-14-17)23-18-7-1-2-10-21(18)27-25-20-9-4-6-15-5-3-8-19(22(15)20)24(23)25/h1-14H
InChIKeyVFLQSZSULQEBPI-UHFFFAOYSA-N
XLogP7.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524454
7-chloro-12-phenylbenzo[k]fluoranthene
CID 15211989
9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
CID 145157949
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene
CID 159219608
3-chloro-2,4-diphenylquinoline
CID 10781654
7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
CID 58535128
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524491
10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one
CID 153437761
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline
CID 89281033

Frequently Asked Questions

What is the IUPAC name of 12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline?
The IUPAC name of 12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline (CID 169081927) is 12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline.
What is the SMILES notation for 12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline?
The canonical SMILES for 12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline is Clc1ccc(-c2c3c(nc4ccccc24)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline?
The InChIKey is VFLQSZSULQEBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClN/c26-17-13-11-16(12-14-17)23-18-7-1-2-10-21(18)27-25-20-9-4-6-15-5-3-8-19(22(15)20)24(23)25/h1-14H.
What are the key properties of 12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline?
12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline has a molecular weight of 363.85 g/mol, XLogP of 7.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline is sourced from PubChem (CID 169081927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).