8-chlorofluoranthene

C16H9Cl — CID 15737453

IUPAC8-chlorofluoranthene
SMILESClc1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C16H9Cl/c17-11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)15(12)9-11/h1-9H
InChIKeyIVGPRQSZXKDUPG-UHFFFAOYSA-N
MW236.70 g/mol
LogP5.14
Rot. Bonds

About 8-chlorofluoranthene

8-chlorofluoranthene (PubChem CID 15737453) has the molecular formula C16H9Cl and a molecular weight of 236.70 g/mol. Its IUPAC name is 8-chlorofluoranthene.

Molecular Properties

Compound Name8-chlorofluoranthene
PubChem CID15737453
Molecular FormulaC16H9Cl
Molecular Weight236.70 g/mol
Exact Mass236.04
IUPAC Name8-chlorofluoranthene
SMILESClc1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C16H9Cl/c17-11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)15(12)9-11/h1-9H
InChIKeyIVGPRQSZXKDUPG-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.70
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-chloro-8-methyltetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,5,8,10,12,14(18),15-nonaene
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fluoranthene
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9-chloroacenaphthyleno[2,1-b]quinoline
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3-chlorophenanthrene-9,10-dione
CID 67151037
N-phenylfluoranthen-8-amine
CID 12546982
benzo[k]fluoranthene;ethane
CID 142369852
1-(4-chloro-2-phenylphenyl)naphthalene
CID 163255490
8-ethynylfluoranthene
CID 15808436
benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene
CID 159219608
9-butyl-14-chloro-9-azahexacyclo[15.7.1.02,10.03,8.011,16.021,25]pentacosa-1(24),2(10),3,5,7,11(16),12,14,17,19,21(25),22-dodecaene
CID 166440630
9-chlorospiro[benzo[a]phenalene-7,9'-thioxanthene]
CID 164794317
4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
CID 173150668

Frequently Asked Questions

What is the IUPAC name of 8-chlorofluoranthene?
The IUPAC name of 8-chlorofluoranthene (CID 15737453) is 8-chlorofluoranthene.
What is the SMILES notation for 8-chlorofluoranthene?
The canonical SMILES for 8-chlorofluoranthene is Clc1ccc2c(c1)-c1cccc3cccc-2c13.
What is the InChIKey of 8-chlorofluoranthene?
The InChIKey is IVGPRQSZXKDUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl/c17-11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)15(12)9-11/h1-9H.
What are the key properties of 8-chlorofluoranthene?
8-chlorofluoranthene has a molecular weight of 236.70 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorofluoranthene is sourced from PubChem (CID 15737453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).