8-methoxy-7,12-diphenylbenzo[k]fluoranthene

C33H22O — CID 151612057

IUPAC8-methoxy-7,12-diphenylbenzo[k]fluoranthene
SMILESCOc1cccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c12)-c1cccc2cccc-3c12
InChIInChI=1S/C33H22O/c1-34-27-20-10-19-26-29(22-11-4-2-5-12-22)32-24-17-8-15-21-16-9-18-25(28(21)24)33(32)30(31(26)27)23-13-6-3-7-14-23/h2-20H,1H3
InChIKeyQMRZJHWXFWQIMJ-UHFFFAOYSA-N
MW434.54 g/mol
LogP8.98
Rot. Bonds3

About 8-methoxy-7,12-diphenylbenzo[k]fluoranthene

8-methoxy-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 151612057) has the molecular formula C33H22O and a molecular weight of 434.54 g/mol. Its IUPAC name is 8-methoxy-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name8-methoxy-7,12-diphenylbenzo[k]fluoranthene
PubChem CID151612057
Molecular FormulaC33H22O
Molecular Weight434.54 g/mol
Exact Mass434.17
IUPAC Name8-methoxy-7,12-diphenylbenzo[k]fluoranthene
SMILESCOc1cccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c12)-c1cccc2cccc-3c12
InChIInChI=1S/C33H22O/c1-34-27-20-10-19-26-29(22-11-4-2-5-12-22)32-24-17-8-15-21-16-9-18-25(28(21)24)33(32)30(31(26)27)23-13-6-3-7-14-23/h2-20H,1H3
InChIKeyQMRZJHWXFWQIMJ-UHFFFAOYSA-N
XLogP8.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-9,10-diphenylphenanthrene
CID 11439822
8-methyl-7,12-diphenylbenzo[k]fluoranthene
CID 154225816
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
7-chloro-12-phenylbenzo[k]fluoranthene
CID 15211989
3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene
CID 163603931
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol
CID 177433855
7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene
CID 158890209
6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535115
8-methoxy-3-methyl-4-phenylnaphthalen-1-ol
CID 101420154
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 8-methoxy-7,12-diphenylbenzo[k]fluoranthene (CID 151612057) is 8-methoxy-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 8-methoxy-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 8-methoxy-7,12-diphenylbenzo[k]fluoranthene is COc1cccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c12)-c1cccc2cccc-3c12.
What is the InChIKey of 8-methoxy-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is QMRZJHWXFWQIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O/c1-34-27-20-10-19-26-29(22-11-4-2-5-12-22)32-24-17-8-15-21-16-9-18-25(28(21)24)33(32)30(31(26)27)23-13-6-3-7-14-23/h2-20H,1H3.
What are the key properties of 8-methoxy-7,12-diphenylbenzo[k]fluoranthene?
8-methoxy-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 434.54 g/mol, XLogP of 8.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 151612057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).