spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene]

C27H20 — CID 144820076

IUPACspiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene]
SMILESC1=CC=C2C(=CC=1)C1(C3=CCCC=C3C3=C1C=CCC=C3)c1ccccc12
InChIInChI=1S/C27H20/c1-3-11-19-21-13-7-9-17-25(21)27(23(19)15-5-1)24-16-6-2-4-12-20(24)22-14-8-10-18-26(22)27/h3-6,8,10-18H,1,7,9H2
InChIKeyXOZASIYWPXDXST-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.45
Rot. Bonds

About spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene]

spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene] (PubChem CID 144820076) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene].

Molecular Properties

Compound Namespiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene]
PubChem CID144820076
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Namespiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene]
SMILESC1=CC=C2C(=CC=1)C1(C3=CCCC=C3C3=C1C=CCC=C3)c1ccccc12
InChIInChI=1S/C27H20/c1-3-11-19-21-13-7-9-17-25(21)27(23(19)15-5-1)24-16-6-2-4-12-20(24)22-14-8-10-18-26(22)27/h3-6,8,10-18H,1,7,9H2
InChIKeyXOZASIYWPXDXST-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene] with MolForge

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Related Compounds

ethane;10,10'-spirobi[7H-benzo[a]azulene]
CID 168937553
9,9-dimethyl-2,3-dihydrofluorene
CID 123727902
2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 144602980
ethane;(8Z)-2'-methylspiro[7,10-dihydrocycloocta[a]indene-11,10'-7H-benzo[a]azulene]
CID 144876245
10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane
CID 144938959
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohexa-1,5-dien-1-ylfluorene;ethane
CID 144721270
spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene]
CID 142821202
N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 123741580
7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene]
CID 142391308
3,6-dimethylphenanthrene;10,10-diphenyl-8H-benzo[a]azulene;ethane;ethene
CID 142288669
spiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 58879546
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohepta-1,4,6-trien-1-ylfluorene;ethane
CID 145317858

Frequently Asked Questions

What is the IUPAC name of spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene]?
The IUPAC name of spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene] (CID 144820076) is spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene].
What is the SMILES notation for spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene]?
The canonical SMILES for spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene] is C1=CC=C2C(=CC=1)C1(C3=CCCC=C3C3=C1C=CCC=C3)c1ccccc12.
What is the InChIKey of spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene]?
The InChIKey is XOZASIYWPXDXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20/c1-3-11-19-21-13-7-9-17-25(21)27(23(19)15-5-1)24-16-6-2-4-12-20(24)22-14-8-10-18-26(22)27/h3-6,8,10-18H,1,7,9H2.
What are the key properties of spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene]?
spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene] has a molecular weight of 344.46 g/mol, XLogP of 6.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene] is sourced from PubChem (CID 144820076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).