7-chloro-12-phenylbenzo[k]fluoranthene

C26H15Cl — CID 15211989

IUPAC7-chloro-12-phenylbenzo[k]fluoranthene
SMILESClc1c2c(c(-c3ccccc3)c3ccccc13)-c1cccc3cccc-2c13
InChIInChI=1S/C26H15Cl/c27-26-19-13-5-4-12-18(19)23(17-8-2-1-3-9-17)24-20-14-6-10-16-11-7-15-21(22(16)20)25(24)26/h1-15H
InChIKeyHRSLKUZCVFDEPY-UHFFFAOYSA-N
MW362.86 g/mol
LogP7.96
Rot. Bonds1

About 7-chloro-12-phenylbenzo[k]fluoranthene

7-chloro-12-phenylbenzo[k]fluoranthene (PubChem CID 15211989) has the molecular formula C26H15Cl and a molecular weight of 362.86 g/mol. Its IUPAC name is 7-chloro-12-phenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name7-chloro-12-phenylbenzo[k]fluoranthene
PubChem CID15211989
Molecular FormulaC26H15Cl
Molecular Weight362.86 g/mol
Exact Mass362.09
IUPAC Name7-chloro-12-phenylbenzo[k]fluoranthene
SMILESClc1c2c(c(-c3ccccc3)c3ccccc13)-c1cccc3cccc-2c13
InChIInChI=1S/C26H15Cl/c27-26-19-13-5-4-12-18(19)23(17-8-2-1-3-9-17)24-20-14-6-10-16-11-7-15-21(22(16)20)25(24)26/h1-15H
InChIKeyHRSLKUZCVFDEPY-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene
CID 159219608
8-methyl-7,12-diphenylbenzo[k]fluoranthene
CID 154225816
7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
CID 58535128
5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58435252
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535115
2-(9,10-diphenylanthracen-2-yl)-5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-1H-pyrrole
CID 58535110
diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
CID 144896174
7,14,25,37-tetraphenyltridecacyclo[21.18.2.22,5.127,31.03,19.04,16.06,15.08,13.020,42.024,38.026,36.039,43.035,44]hexatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26(36),27,29,31(44),32,34,37,39(43),40,45-tricosaene
CID 153474269
8-methoxy-7,12-diphenylbenzo[k]fluoranthene
CID 151612057

Frequently Asked Questions

What is the IUPAC name of 7-chloro-12-phenylbenzo[k]fluoranthene?
The IUPAC name of 7-chloro-12-phenylbenzo[k]fluoranthene (CID 15211989) is 7-chloro-12-phenylbenzo[k]fluoranthene.
What is the SMILES notation for 7-chloro-12-phenylbenzo[k]fluoranthene?
The canonical SMILES for 7-chloro-12-phenylbenzo[k]fluoranthene is Clc1c2c(c(-c3ccccc3)c3ccccc13)-c1cccc3cccc-2c13.
What is the InChIKey of 7-chloro-12-phenylbenzo[k]fluoranthene?
The InChIKey is HRSLKUZCVFDEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15Cl/c27-26-19-13-5-4-12-18(19)23(17-8-2-1-3-9-17)24-20-14-6-10-16-11-7-15-21(22(16)20)25(24)26/h1-15H.
What are the key properties of 7-chloro-12-phenylbenzo[k]fluoranthene?
7-chloro-12-phenylbenzo[k]fluoranthene has a molecular weight of 362.86 g/mol, XLogP of 7.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-12-phenylbenzo[k]fluoranthene is sourced from PubChem (CID 15211989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).