7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene

C42H32O2 — CID 157244070

IUPAC7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene
SMILESCCOc1ccc(-c2c3c(c(-c4ccc(OCC)cc4)c4cc(-c5ccccc5)ccc24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C42H32O2/c1-3-43-32-21-16-29(17-22-32)39-34-25-20-31(27-10-6-5-7-11-27)26-37(34)40(30-18-23-33(24-19-30)44-4-2)42-36-15-9-13-28-12-8-14-35(38(28)36)41(39)42/h5-26H,3-4H2,1-2H3
InChIKeyAVNXLFQIEMPLLB-UHFFFAOYSA-N
MW568.72 g/mol
LogP11.44
Rot. Bonds7

About 7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene

7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene (PubChem CID 157244070) has the molecular formula C42H32O2 and a molecular weight of 568.72 g/mol. Its IUPAC name is 7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene
PubChem CID157244070
Molecular FormulaC42H32O2
Molecular Weight568.72 g/mol
Exact Mass568.24
IUPAC Name7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene
SMILESCCOc1ccc(-c2c3c(c(-c4ccc(OCC)cc4)c4cc(-c5ccccc5)ccc24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C42H32O2/c1-3-43-32-21-16-29(17-22-32)39-34-25-20-31(27-10-6-5-7-11-27)26-37(34)40(30-18-23-33(24-19-30)44-4-2)42-36-15-9-13-28-12-8-14-35(38(28)36)41(39)42/h5-26H,3-4H2,1-2H3
InChIKeyAVNXLFQIEMPLLB-UHFFFAOYSA-N
XLogP11.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58435252
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535151
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
5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535149
3,6,10,17,20,24-hexakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene
CID 140722752
2-(9,10-diphenylanthracen-2-yl)-5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-1H-pyrrole
CID 58535110
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 169062474

Frequently Asked Questions

What is the IUPAC name of 7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene?
The IUPAC name of 7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene (CID 157244070) is 7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene.
What is the SMILES notation for 7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene?
The canonical SMILES for 7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene is CCOc1ccc(-c2c3c(c(-c4ccc(OCC)cc4)c4cc(-c5ccccc5)ccc24)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene?
The InChIKey is AVNXLFQIEMPLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32O2/c1-3-43-32-21-16-29(17-22-32)39-34-25-20-31(27-10-6-5-7-11-27)26-37(34)40(30-18-23-33(24-19-30)44-4-2)42-36-15-9-13-28-12-8-14-35(38(28)36)41(39)42/h5-26H,3-4H2,1-2H3.
What are the key properties of 7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene?
7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene has a molecular weight of 568.72 g/mol, XLogP of 11.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene is sourced from PubChem (CID 157244070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).