[2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone

C41H30O2 — CID 146649580

IUPAC[2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc2c(c1)C1(c3ccccc3-2)c2cc(C(=O)c3ccccc3C)ccc2C2C=CC=CC21
InChIInChI=1S/C41H30O2/c1-25-11-3-5-13-29(25)39(42)27-19-21-33-31-15-7-9-17-35(31)41(37(33)23-27)36-18-10-8-16-32(36)34-22-20-28(24-38(34)41)40(43)30-14-6-4-12-26(30)2/h3-24,31,35H,1-2H3
InChIKeyIKDWZPSBRAUTKG-UHFFFAOYSA-N
MW554.69 g/mol
LogP8.92
Rot. Bonds4

About [2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone

[2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone (PubChem CID 146649580) has the molecular formula C41H30O2 and a molecular weight of 554.69 g/mol. Its IUPAC name is [2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone
PubChem CID146649580
Molecular FormulaC41H30O2
Molecular Weight554.69 g/mol
Exact Mass554.22
IUPAC Name[2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc2c(c1)C1(c3ccccc3-2)c2cc(C(=O)c3ccccc3C)ccc2C2C=CC=CC21
InChIInChI=1S/C41H30O2/c1-25-11-3-5-13-29(25)39(42)27-19-21-33-31-15-7-9-17-35(31)41(37(33)23-27)36-18-10-8-16-32(36)34-22-20-28(24-38(34)41)40(43)30-14-6-4-12-26(30)2/h3-24,31,35H,1-2H3
InChIKeyIKDWZPSBRAUTKG-UHFFFAOYSA-N
XLogP8.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone with MolForge

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Related Compounds

2,4-diphenyl-6-(7-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 166953099
2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine
CID 123333479
1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
CID 63021429
2,4-diphenyl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-4-yl-1,3,5-triazine
CID 153159558
(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493
CID 59776057
CID 59776057
4-(2-methylbenzoyl)phthalic acid
CID 22362607
(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methanone
CID 118371862
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
N,N,1'-triphenylspiro[4b,8a-dihydrofluorene-9,13'-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]-2-amine
CID 146413961
(9aS)-10'-hydroxy-2',3',7'-trimethylspiro[4a,9a-dihydrofluorene-9,9'-thioxanthen-10-ium]
CID 142344509
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078

Frequently Asked Questions

What is the IUPAC name of [2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone?
The IUPAC name of [2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone (CID 146649580) is [2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc2c(c1)C1(c3ccccc3-2)c2cc(C(=O)c3ccccc3C)ccc2C2C=CC=CC21.
What is the InChIKey of [2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone?
The InChIKey is IKDWZPSBRAUTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30O2/c1-25-11-3-5-13-29(25)39(42)27-19-21-33-31-15-7-9-17-35(31)41(37(33)23-27)36-18-10-8-16-32(36)34-22-20-28(24-38(34)41)40(43)30-14-6-4-12-26(30)2/h3-24,31,35H,1-2H3.
What are the key properties of [2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone?
[2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone has a molecular weight of 554.69 g/mol, XLogP of 8.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 146649580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).