6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene

C44H28 — CID 15535014

IUPAC6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene
SMILESc1cc2ccc(C3=C(c4ccc5cccc-5cc4)C(c4ccc5cccc-5cc4)=C3c3ccc4cccc-4cc3)ccc-2c1
InChIInChI=1S/C44H28/c1-5-29-13-21-37(22-14-30(29)6-1)41-42(38-23-15-31-7-2-8-32(31)16-24-38)44(40-27-19-35-11-4-12-36(35)20-28-40)43(41)39-25-17-33-9-3-10-34(33)18-26-39/h1-28H
InChIKeyMAZHGWSCRKQVCT-UHFFFAOYSA-N
MW556.71 g/mol
LogP11.64
Rot. Bonds4

About 6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene

6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene (PubChem CID 15535014) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene.

Molecular Properties

Compound Name6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene
PubChem CID15535014
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene
SMILESc1cc2ccc(C3=C(c4ccc5cccc-5cc4)C(c4ccc5cccc-5cc4)=C3c3ccc4cccc-4cc3)ccc-2c1
InChIInChI=1S/C44H28/c1-5-29-13-21-37(22-14-30(29)6-1)41-42(38-23-15-31-7-2-8-32(31)16-24-38)44(40-27-19-35-11-4-12-36(35)20-28-40)43(41)39-25-17-33-9-3-10-34(33)18-26-39/h1-28H
InChIKeyMAZHGWSCRKQVCT-UHFFFAOYSA-N
XLogP11.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene
CID 123382186
azulene;phosphane
CID 175448344
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
CID 24862664
CID 24862664
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
benzene;tris(1,1'-biphenyl)
CID 162155747
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275

Frequently Asked Questions

What is the IUPAC name of 6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene?
The IUPAC name of 6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene (CID 15535014) is 6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene.
What is the SMILES notation for 6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene?
The canonical SMILES for 6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene is c1cc2ccc(C3=C(c4ccc5cccc-5cc4)C(c4ccc5cccc-5cc4)=C3c3ccc4cccc-4cc3)ccc-2c1.
What is the InChIKey of 6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene?
The InChIKey is MAZHGWSCRKQVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-5-29-13-21-37(22-14-30(29)6-1)41-42(38-23-15-31-7-2-8-32(31)16-24-38)44(40-27-19-35-11-4-12-36(35)20-28-40)43(41)39-25-17-33-9-3-10-34(33)18-26-39/h1-28H.
What are the key properties of 6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene?
6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene has a molecular weight of 556.71 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene is sourced from PubChem (CID 15535014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).