9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine

C50H37N — CID 90087290

IUPAC9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
SMILESCC1(C)c2ccccc2N(c2cccc3ccccc23)c2ccc(-c3ccc4c(c3)C3(C5=C4CCC=C5)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C50H37N/c1-49(2)43-23-11-12-24-47(43)51(46-25-13-15-32-14-3-4-16-35(32)46)48-29-27-34(31-45(48)49)33-26-28-39-38-19-7-10-22-42(38)50(44(39)30-33)40-20-8-5-17-36(40)37-18-6-9-21-41(37)50/h3-6,8-18,20-31H,7,19H2,1-2H3
InChIKeyDBUGNKNYEQMQCD-UHFFFAOYSA-N
MW651.85 g/mol
LogP13.05
Rot. Bonds2

About 9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine

9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine (PubChem CID 90087290) has the molecular formula C50H37N and a molecular weight of 651.85 g/mol. Its IUPAC name is 9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine.

Molecular Properties

Compound Name9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
PubChem CID90087290
Molecular FormulaC50H37N
Molecular Weight651.85 g/mol
Exact Mass651.29
IUPAC Name9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
SMILESCC1(C)c2ccccc2N(c2cccc3ccccc23)c2ccc(-c3ccc4c(c3)C3(C5=C4CCC=C5)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C50H37N/c1-49(2)43-23-11-12-24-47(43)51(46-25-13-15-32-14-3-4-16-35(32)46)48-29-27-34(31-45(48)49)33-26-28-39-38-19-7-10-22-42(38)50(44(39)30-33)40-20-8-5-17-36(40)37-18-6-9-21-41(37)50/h3-6,8-18,20-31H,7,19H2,1-2H3
InChIKeyDBUGNKNYEQMQCD-UHFFFAOYSA-N
XLogP13.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.85
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine with MolForge

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Related Compounds

10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine
CID 70936023
10-[7'-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine
CID 89070861
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine
CID 89111089
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine
CID 129258942
8,8,14,14-tetramethyl-5-(2-naphthalen-1-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 70892961
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166
5-[4-[(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)amino]phenyl]-8,8,14,14-tetramethyl-N,N-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine
CID 90779509
3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene]
CID 163841303

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine?
The IUPAC name of 9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine (CID 90087290) is 9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine.
What is the SMILES notation for 9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine?
The canonical SMILES for 9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine is CC1(C)c2ccccc2N(c2cccc3ccccc23)c2ccc(-c3ccc4c(c3)C3(C5=C4CCC=C5)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine?
The InChIKey is DBUGNKNYEQMQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N/c1-49(2)43-23-11-12-24-47(43)51(46-25-13-15-32-14-3-4-16-35(32)46)48-29-27-34(31-45(48)49)33-26-28-39-38-19-7-10-22-42(38)50(44(39)30-33)40-20-8-5-17-36(40)37-18-6-9-21-41(37)50/h3-6,8-18,20-31H,7,19H2,1-2H3.
What are the key properties of 9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine?
9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine has a molecular weight of 651.85 g/mol, XLogP of 13.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine is sourced from PubChem (CID 90087290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).