tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane

C186H266 — CID 160764907

IUPACtetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/4C32H20.23C2H6.12CH4/c4*1-3-11-22(12-4-1)29-24-17-7-8-18-25(24)30(23-13-5-2-6-14-23)32-27-20-10-16-21-15-9-19-26(28(21)27)31(29)32;23*1-2;;;;;;;;;;;;/h4*1-20H;23*1-2H3;12*1H4
InChIKeyRYNZQEKVKHDHJS-UHFFFAOYSA-N
MW2502.17 g/mol
LogP67.13
Rot. Bonds8

About tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane

tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane (PubChem CID 160764907) has the molecular formula C186H266 and a molecular weight of 2502.17 g/mol. Its IUPAC name is tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane.

Molecular Properties

Compound Nametetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
PubChem CID160764907
Molecular FormulaC186H266
Molecular Weight2502.17 g/mol
Exact Mass2500.08
IUPAC Nametetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/4C32H20.23C2H6.12CH4/c4*1-3-11-22(12-4-1)29-24-17-7-8-18-25(24)30(23-13-5-2-6-14-23)32-27-20-10-16-21-15-9-19-26(28(21)27)31(29)32;23*1-2;;;;;;;;;;;;/h4*1-20H;23*1-2H3;12*1H4
InChIKeyRYNZQEKVKHDHJS-UHFFFAOYSA-N
XLogP67.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002502.17
LogP ≤ 567.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-chloro-12-phenylbenzo[k]fluoranthene
CID 15211989
8-methyl-7,12-diphenylbenzo[k]fluoranthene
CID 154225816
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
8-methoxy-7,12-diphenylbenzo[k]fluoranthene
CID 151612057
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
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922

Frequently Asked Questions

What is the IUPAC name of tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane?
The IUPAC name of tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane (CID 160764907) is tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane.
What is the SMILES notation for tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane?
The canonical SMILES for tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane is C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane?
The InChIKey is RYNZQEKVKHDHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C32H20.23C2H6.12CH4/c4*1-3-11-22(12-4-1)29-24-17-7-8-18-25(24)30(23-13-5-2-6-14-23)32-27-20-10-16-21-15-9-19-26(28(21)27)31(29)32;23*1-2;;;;;;;;;;;;/h4*1-20H;23*1-2H3;12*1H4.
What are the key properties of tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane?
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane has a molecular weight of 2502.17 g/mol, XLogP of 67.13, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane is sourced from PubChem (CID 160764907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).