spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene]

C27H20 — CID 142821202

IUPACspiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene]
SMILESC1=CCC=C2C(=C1)c1ccccc1C21C2=CC=CC3CC23c2ccccc21
InChIInChI=1S/C27H20/c1-2-10-19-20-11-4-5-13-22(20)27(21(19)12-3-1)24-15-7-6-14-23(24)26-17-18(26)9-8-16-25(26)27/h1-2,4-16,18H,3,17H2
InChIKeyWAAJKXZZFBFEFP-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.02
Rot. Bonds

About spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene]

spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene] (PubChem CID 142821202) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene].

Molecular Properties

Compound Namespiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene]
PubChem CID142821202
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Namespiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene]
SMILESC1=CCC=C2C(=C1)c1ccccc1C21C2=CC=CC3CC23c2ccccc21
InChIInChI=1S/C27H20/c1-2-10-19-20-11-4-5-13-22(20)27(21(19)12-3-1)24-15-7-6-14-23(24)26-17-18(26)9-8-16-25(26)27/h1-2,4-16,18H,3,17H2
InChIKeyWAAJKXZZFBFEFP-UHFFFAOYSA-N
XLogP6.02
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 ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene] with MolForge

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Related Compounds

10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane
CID 144938959
(3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane]
CID 143027770
3,6-dimethylphenanthrene;10,10-diphenyl-8H-benzo[a]azulene;ethane;ethene
CID 142288669
N-(8,8-dimethyl-5-tetracyclo[7.5.0.01,13.02,7]tetradeca-2(7),3,5,9,11-pentaenyl)-N-methylspiro[6,7-dihydrocyclohepta[a]naphthalene-5,9'-fluorene]-2'-amine
CID 145303048
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohepta-1,4,6-trien-1-ylfluorene;ethane
CID 145317858
spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene]
CID 144820076
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohexa-1,5-dien-1-ylfluorene;ethane
CID 144721270
cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine
CID 156726259
9,9-diphenyl-2H-fluoren-3-one
CID 123144463
12'-[6-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[8H-benzo[a]azulene-10,7'-indeno[1,2-a]carbazole]
CID 139453599
spiro[2H-cyclopenta[a]indene-4,9'-fluorene]-2-amine
CID 167169747
2,10-dimethyl-10-[5-methyl-2-(7-methylcyclohepta-1,3,6-trien-1-yl)phenyl]-8H-benzo[a]azulene;methane
CID 142961363

Frequently Asked Questions

What is the IUPAC name of spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene]?
The IUPAC name of spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene] (CID 142821202) is spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene].
What is the SMILES notation for spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene]?
The canonical SMILES for spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene] is C1=CCC=C2C(=C1)c1ccccc1C21C2=CC=CC3CC23c2ccccc21.
What is the InChIKey of spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene]?
The InChIKey is WAAJKXZZFBFEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20/c1-2-10-19-20-11-4-5-13-22(20)27(21(19)12-3-1)24-15-7-6-14-23(24)26-17-18(26)9-8-16-25(26)27/h1-2,4-16,18H,3,17H2.
What are the key properties of spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene]?
spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene] has a molecular weight of 344.46 g/mol, XLogP of 6.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene] is sourced from PubChem (CID 142821202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).