3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine

C42H36N2O — CID 130379859

IUPAC3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine
SMILESCC1=C(CC(C)(C)c2ccc(-c3ccc(-c4ccccc4)nn3)cc2)C2(C3=C(CCC=C3)c3ccccc32)c2ccccc2O1
InChIInChI=1S/C42H36N2O/c1-28-37(27-41(2,3)31-23-21-30(22-24-31)39-26-25-38(43-44-39)29-13-5-4-6-14-29)42(36-19-11-12-20-40(36)45-28)34-17-9-7-15-32(34)33-16-8-10-18-35(33)42/h4-7,9-15,17-26H,8,16,27H2,1-3H3
InChIKeyQHRUIRSGFJKBMB-UHFFFAOYSA-N
MW584.76 g/mol
LogP10.25
Rot. Bonds5

About 3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine

3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine (PubChem CID 130379859) has the molecular formula C42H36N2O and a molecular weight of 584.76 g/mol. Its IUPAC name is 3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine
PubChem CID130379859
Molecular FormulaC42H36N2O
Molecular Weight584.76 g/mol
Exact Mass584.28
IUPAC Name3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine
SMILESCC1=C(CC(C)(C)c2ccc(-c3ccc(-c4ccccc4)nn3)cc2)C2(C3=C(CCC=C3)c3ccccc32)c2ccccc2O1
InChIInChI=1S/C42H36N2O/c1-28-37(27-41(2,3)31-23-21-30(22-24-31)39-26-25-38(43-44-39)29-13-5-4-6-14-29)42(36-19-11-12-20-40(36)45-28)34-17-9-7-15-32(34)33-16-8-10-18-35(33)42/h4-7,9-15,17-26H,8,16,27H2,1-3H3
InChIKeyQHRUIRSGFJKBMB-UHFFFAOYSA-N
XLogP10.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.76
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388685
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-6-(3-phenylphenyl)-2-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137391754
7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene]
CID 163961463
4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897
7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine
CID 146215867
2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
benzenecarboximidoyl 6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate
CID 130379250
spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 146658921
2-[3-[4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 130379025
2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline
CID 146495577

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine?
The IUPAC name of 3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine (CID 130379859) is 3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine.
What is the SMILES notation for 3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine?
The canonical SMILES for 3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine is CC1=C(CC(C)(C)c2ccc(-c3ccc(-c4ccccc4)nn3)cc2)C2(C3=C(CCC=C3)c3ccccc32)c2ccccc2O1.
What is the InChIKey of 3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine?
The InChIKey is QHRUIRSGFJKBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2O/c1-28-37(27-41(2,3)31-23-21-30(22-24-31)39-26-25-38(43-44-39)29-13-5-4-6-14-29)42(36-19-11-12-20-40(36)45-28)34-17-9-7-15-32(34)33-16-8-10-18-35(33)42/h4-7,9-15,17-26H,8,16,27H2,1-3H3.
What are the key properties of 3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine?
3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine has a molecular weight of 584.76 g/mol, XLogP of 10.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-methyl-1-(2'-methylspiro[3,4-dihydrofluorene-9,4'-chromene]-3'-yl)propan-2-yl]phenyl]-6-phenylpyridazine is sourced from PubChem (CID 130379859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).