benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene

C52H31Cl — CID 159219608

IUPACbenzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene
SMILESClc1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1cccc2cccc-3c12.c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C32H19Cl.C20H12/c33-23-17-18-24-27(19-23)30(22-11-5-2-6-12-22)32-26-16-8-14-20-13-7-15-25(28(20)26)31(32)29(24)21-9-3-1-4-10-21;1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-19H;1-12H
InChIKeyKRNBKIZDXSUDJV-UHFFFAOYSA-N
MW691.27 g/mol
LogP15.27
Rot. Bonds2

About benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene

benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 159219608) has the molecular formula C52H31Cl and a molecular weight of 691.27 g/mol. Its IUPAC name is benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Namebenzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene
PubChem CID159219608
Molecular FormulaC52H31Cl
Molecular Weight691.27 g/mol
Exact Mass690.21
IUPAC Namebenzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene
SMILESClc1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1cccc2cccc-3c12.c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C32H19Cl.C20H12/c33-23-17-18-24-27(19-23)30(22-11-5-2-6-12-22)32-26-16-8-14-20-13-7-15-25(28(20)26)31(32)29(24)21-9-3-1-4-10-21;1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-19H;1-12H
InChIKeyKRNBKIZDXSUDJV-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.27
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
7-chloro-12-phenylbenzo[k]fluoranthene
CID 15211989
3,14-diphenyloctacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 123826742
7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene
CID 59326163
4-fluoranthen-8-yl-7,9,12-triphenylbenzo[k]fluoranthene
CID 58390175
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58435252
2-(9,10-diphenylanthracen-2-yl)-5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-1H-pyrrole
CID 58535110
7,36-diphenyl-14,25-bis(2-phenylphenyl)dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38(42),39,43-docosaene
CID 59642874
5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535149
7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene
CID 157244070
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

Frequently Asked Questions

What is the IUPAC name of benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene (CID 159219608) is benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene is Clc1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1cccc2cccc-3c12.c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12.
What is the InChIKey of benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is KRNBKIZDXSUDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19Cl.C20H12/c33-23-17-18-24-27(19-23)30(22-11-5-2-6-12-22)32-26-16-8-14-20-13-7-15-25(28(20)26)31(32)29(24)21-9-3-1-4-10-21;1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-19H;1-12H.
What are the key properties of benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene?
benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 691.27 g/mol, XLogP of 15.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 159219608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).