(3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane]

C30H26 — CID 143027770

IUPAC(3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane]
SMILESC1=CCC=C2C(=C1)c1ccccc1C21CC(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C30H26/c1-4-12-22(13-5-1)26-20-30(21-27(26)23-14-6-2-7-15-23)28-18-9-3-8-16-24(28)25-17-10-11-19-29(25)30/h1-8,10-19,26-27H,9,20-21H2/t26-,27?,30?/m1/s1
InChIKeyLGTNGQLBPRFLAT-FVEFLQRYSA-N
MW386.54 g/mol
LogP7.57
Rot. Bonds2

About (3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane]

(3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane] (PubChem CID 143027770) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is (3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane].

Molecular Properties

Compound Name(3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane]
PubChem CID143027770
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name(3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane]
SMILESC1=CCC=C2C(=C1)c1ccccc1C21CC(c2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C30H26/c1-4-12-22(13-5-1)26-20-30(21-27(26)23-14-6-2-7-15-23)28-18-9-3-8-16-24(28)25-17-10-11-19-29(25)30/h1-8,10-19,26-27H,9,20-21H2/t26-,27?,30?/m1/s1
InChIKeyLGTNGQLBPRFLAT-FVEFLQRYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene]
CID 142821202
10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane
CID 144938959
3,6-dimethylphenanthrene;10,10-diphenyl-8H-benzo[a]azulene;ethane;ethene
CID 142288669
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohepta-1,4,6-trien-1-ylfluorene;ethane
CID 145317858
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohexa-1,5-dien-1-ylfluorene;ethane
CID 144721270
[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene
CID 102136520
9,9-dimethyl-2,3-dihydrofluorene
CID 123727902
cyclopropane;4-phenyl-N-(4-phenylphenyl)aniline;spiro[6H-benzo[a]azulene-10,9'-fluorene]-4'-amine
CID 156726259
2,10-dimethyl-10-[5-methyl-2-(7-methylcyclohepta-1,3,6-trien-1-yl)phenyl]-8H-benzo[a]azulene;methane
CID 142961363
7-bromospiro[6H-benzo[a]azulene-10,9'-fluorene]
CID 142391308
cyclopenta-1,3-diene;dimethyl 3-phenylindene-1,1-dicarboxylate
CID 174872515
12'-[6-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[8H-benzo[a]azulene-10,7'-indeno[1,2-a]carbazole]
CID 139453599

Frequently Asked Questions

What is the IUPAC name of (3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane]?
The IUPAC name of (3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane] (CID 143027770) is (3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane].
What is the SMILES notation for (3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane]?
The canonical SMILES for (3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane] is C1=CCC=C2C(=C1)c1ccccc1C21CC(c2ccccc2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane]?
The InChIKey is LGTNGQLBPRFLAT-FVEFLQRYSA-N. The full InChI is InChI=1S/C30H26/c1-4-12-22(13-5-1)26-20-30(21-27(26)23-14-6-2-7-15-23)28-18-9-3-8-16-24(28)25-17-10-11-19-29(25)30/h1-8,10-19,26-27H,9,20-21H2/t26-,27?,30?/m1/s1.
What are the key properties of (3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane]?
(3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane] has a molecular weight of 386.54 g/mol, XLogP of 7.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane] is sourced from PubChem (CID 143027770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).