10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene]

C31H23NO — CID 166732723

IUPAC10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene]
SMILESC1=CC(CN2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)C=C1
InChIInChI=1S/C31H23NO/c1-2-12-22(11-1)21-32-27-17-7-3-13-23(27)31(24-14-4-8-18-28(24)32)25-15-5-9-19-29(25)33-30-20-10-6-16-26(30)31/h1-20,22H,21H2
InChIKeyMCSNKADSCHKJKC-UHFFFAOYSA-N
MW425.53 g/mol
LogP7.37
Rot. Bonds2

About 10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene]

10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene] (PubChem CID 166732723) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is 10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene].

Molecular Properties

Compound Name10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene]
PubChem CID166732723
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene]
SMILESC1=CC(CN2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)C=C1
InChIInChI=1S/C31H23NO/c1-2-12-22(11-1)21-32-27-17-7-3-13-23(27)31(24-14-4-8-18-28(24)32)25-15-5-9-19-29(25)33-30-20-10-6-16-26(30)31/h1-20,22H,21H2
InChIKeyMCSNKADSCHKJKC-UHFFFAOYSA-N
XLogP7.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-(4-diethoxyphosphorylbutyl)spiro[acridine-9,9'-xanthene]
CID 176894163
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 135140118
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012
10-(cyclopenta-2,4-dien-1-ylmethyl)-2'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-10',10'-dimethyl-7'-phenylspiro[acridine-9,9'-anthracene]
CID 138633412
spiro[thioxanthene-9,9'-xanthene]
CID 59096341
(2E,4Z,6E)-10'-(cyclopenta-2,4-dien-1-ylmethyl)-2-methyl-1-(4-phenylphenyl)spiro[1-benzazecine-8,9'-acridine]
CID 138633654
10-ethylspiro[acridine-9,9'-fluorene]
CID 118231831
10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]
CID 146654706
9-[3-(4a,9a-dihydrocarbazol-9-yl)-9,9'-spirobi[xanthene]-2'-yl]carbazole
CID 163901342
10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
CID 118698598
10-(2-quinoxalin-5-ylphenyl)spiro[acridine-9,9'-xanthene]
CID 122435709
N,N,9-trimethylxanthen-9-amine
CID 68833214

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene]?
The IUPAC name of 10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene] (CID 166732723) is 10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene].
What is the SMILES notation for 10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene]?
The canonical SMILES for 10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene] is C1=CC(CN2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)C=C1.
What is the InChIKey of 10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene]?
The InChIKey is MCSNKADSCHKJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO/c1-2-12-22(11-1)21-32-27-17-7-3-13-23(27)31(24-14-4-8-18-28(24)32)25-15-5-9-19-29(25)33-30-20-10-6-16-26(30)31/h1-20,22H,21H2.
What are the key properties of 10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene]?
10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene] has a molecular weight of 425.53 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopenta-2,4-dien-1-ylmethyl)spiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 166732723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).