10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]

C33H29N — CID 145212951

IUPAC10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]
SMILESCC1=CC=C(c2cccc3c2C2=C(CCC=C2)C32c3ccccc3N(C)c3ccccc32)CC1
InChIInChI=1S/C33H29N/c1-22-18-20-23(21-19-22)24-11-9-15-29-32(24)25-10-3-4-12-26(25)33(29)27-13-5-7-16-30(27)34(2)31-17-8-6-14-28(31)33/h3,5-11,13-18,20H,4,12,19,21H2,1-2H3
InChIKeyWZUUKFVAUQTLEH-UHFFFAOYSA-N
MW439.60 g/mol
LogP8.34
Rot. Bonds1

About 10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]

10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine] (PubChem CID 145212951) has the molecular formula C33H29N and a molecular weight of 439.60 g/mol. Its IUPAC name is 10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine].

Molecular Properties

Compound Name10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]
PubChem CID145212951
Molecular FormulaC33H29N
Molecular Weight439.60 g/mol
Exact Mass439.23
IUPAC Name10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]
SMILESCC1=CC=C(c2cccc3c2C2=C(CCC=C2)C32c3ccccc3N(C)c3ccccc32)CC1
InChIInChI=1S/C33H29N/c1-22-18-20-23(21-19-22)24-11-9-15-29-32(24)25-10-3-4-12-26(25)33(29)27-13-5-7-16-30(27)34(2)31-17-8-6-14-28(31)33/h3,5-11,13-18,20H,4,12,19,21H2,1-2H3
InChIKeyWZUUKFVAUQTLEH-UHFFFAOYSA-N
XLogP8.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine] with MolForge

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Related Compounds

10-phenyl-2-(10'-phenylspiro[1,2-dihydrofluorene-9,9'-acridine]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 142356343
5-methyl-6,7,8,9-tetrahydrobenzo[d][1]benzazepine
CID 143188762
6-ethyl-10-methylspiro[1,2-dihydroacridine-9,9'-fluorene]
CID 130462116
9-(9,9-diphenyl-7,8-dihydrofluoren-3-yl)-2-(3-methylphenyl)carbazole;ethane;(4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9,9'-spirobi[fluorene]
CID 144911495
5,11-dimethyl-7,8-dihydrobenzo[b][1]benzazepine
CID 170189111
3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]
CID 123378700
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
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 145331604
10-[6-(4,9-dihydro-3H-acridin-10-yl)-9,10-bis(4-methylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-9H-acridine
CID 89111044
10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine
CID 89434043
14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene
CID 145097128
4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline
CID 89008919

Frequently Asked Questions

What is the IUPAC name of 10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]?
The IUPAC name of 10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine] (CID 145212951) is 10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine].
What is the SMILES notation for 10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]?
The canonical SMILES for 10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine] is CC1=CC=C(c2cccc3c2C2=C(CCC=C2)C32c3ccccc3N(C)c3ccccc32)CC1.
What is the InChIKey of 10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]?
The InChIKey is WZUUKFVAUQTLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N/c1-22-18-20-23(21-19-22)24-11-9-15-29-32(24)25-10-3-4-12-26(25)33(29)27-13-5-7-16-30(27)34(2)31-17-8-6-14-28(31)33/h3,5-11,13-18,20H,4,12,19,21H2,1-2H3.
What are the key properties of 10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]?
10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine] has a molecular weight of 439.60 g/mol, XLogP of 8.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)spiro[1,2-dihydrofluorene-9,9'-acridine] is sourced from PubChem (CID 145212951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).