1-(2-phenalen-1-ylideneethenylidene)phenalene

C28H16 — CID 86022953

IUPAC1-(2-phenalen-1-ylideneethenylidene)phenalene
SMILESC(=C=c1ccc2cccc3cccc1c32)=c1ccc2cccc3cccc1c32
InChIInChI=1S/C28H16/c1-5-21-9-3-11-25-19(15-17-23(7-1)27(21)25)13-14-20-16-18-24-8-2-6-22-10-4-12-26(20)28(22)24/h1-12,15-18H/b20-19+
InChIKeyQLZJBWAQNMRFMP-FMQUCBEESA-N
MW352.44 g/mol
LogP5.75
Rot. Bonds

About 1-(2-phenalen-1-ylideneethenylidene)phenalene

1-(2-phenalen-1-ylideneethenylidene)phenalene (PubChem CID 86022953) has the molecular formula C28H16 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(2-phenalen-1-ylideneethenylidene)phenalene.

Molecular Properties

Compound Name1-(2-phenalen-1-ylideneethenylidene)phenalene
PubChem CID86022953
Molecular FormulaC28H16
Molecular Weight352.44 g/mol
Exact Mass352.13
IUPAC Name1-(2-phenalen-1-ylideneethenylidene)phenalene
SMILESC(=C=c1ccc2cccc3cccc1c32)=c1ccc2cccc3cccc1c32
InChIInChI=1S/C28H16/c1-5-21-9-3-11-25-19(15-17-23(7-1)27(21)25)13-14-20-16-18-24-8-2-6-22-10-4-12-26(20)28(22)24/h1-12,15-18H/b20-19+
InChIKeyQLZJBWAQNMRFMP-FMQUCBEESA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

octacyclo[19.7.1.114,18.02,19.04,17.07,16.010,15.025,29]triaconta-1(28),2,4(17),5,7(16),8,10(15),11,13,18(30),19,21,23,25(29),26-pentadecaene
CID 21087928
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene
CID 172997689
benzo[e]pyrene
CID 9128
heptacyclo[12.12.0.02,11.03,8.04,25.017,26.019,24]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21,23,25-tridecaene
CID 6455215
dodecacyclo[20.16.0.02,19.03,16.04,13.05,38.06,35.07,12.08,33.024,37.027,36.029,34]octatriaconta-1(38),2(19),3(16),4(13),5,7,9,11,14,17,20,22,24(37),25,27(36),28,30,32,34-nonadecaene
CID 21082989
4-(2-pyren-4-ylethynyl)pyrene
CID 86240868
phenanthrene;pyrene;triphenylene
CID 162115949
nonacyclo[14.14.2.02,15.03,12.04,9.05,30.020,32.021,26.027,31]dotriaconta-1(30),2(15),3(12),4(9),5,7,10,13,16,18,20(32),21,23,25,27(31),28-hexadecaene
CID 21087978
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
undecacyclo[15.15.0.02,14.03,31.04,12.05,29.06,11.07,27.020,32.022,30.023,28]dotriaconta-1(17),2,4(12),5,7(27),8,10,13,15,18,20,22(30),23,25,28,31-hexadecaene
CID 11112057
pyrene;dihydrobromide
CID 172822251
pyrene;zirconium
CID 175873743

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenalen-1-ylideneethenylidene)phenalene?
The IUPAC name of 1-(2-phenalen-1-ylideneethenylidene)phenalene (CID 86022953) is 1-(2-phenalen-1-ylideneethenylidene)phenalene.
What is the SMILES notation for 1-(2-phenalen-1-ylideneethenylidene)phenalene?
The canonical SMILES for 1-(2-phenalen-1-ylideneethenylidene)phenalene is C(=C=c1ccc2cccc3cccc1c32)=c1ccc2cccc3cccc1c32.
What is the InChIKey of 1-(2-phenalen-1-ylideneethenylidene)phenalene?
The InChIKey is QLZJBWAQNMRFMP-FMQUCBEESA-N. The full InChI is InChI=1S/C28H16/c1-5-21-9-3-11-25-19(15-17-23(7-1)27(21)25)13-14-20-16-18-24-8-2-6-22-10-4-12-26(20)28(22)24/h1-12,15-18H/b20-19+.
What are the key properties of 1-(2-phenalen-1-ylideneethenylidene)phenalene?
1-(2-phenalen-1-ylideneethenylidene)phenalene has a molecular weight of 352.44 g/mol, XLogP of 5.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenalen-1-ylideneethenylidene)phenalene is sourced from PubChem (CID 86022953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).