[6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine

C45H32N2S — CID 142481859

IUPAC[6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine
SMILES[H]/N=C/c1cccc2c1-c1cc(-c3ccccc3-c3ccccc3SC)ccc1C21c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C45H32N2S/c1-48-43-25-12-7-19-35(43)34-18-6-5-17-33(34)30-26-27-37-36(28-30)44-31(29-46)14-13-22-40(44)45(37)38-20-8-10-23-41(38)47(32-15-3-2-4-16-32)42-24-11-9-21-39(42)45/h2-29,46H,1H3/b46-29+
InChIKeyVROBWGDNMUEBHS-ZHZMQRCZSA-N
MW632.83 g/mol
LogP11.89
Rot. Bonds5

About [6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine

[6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine (PubChem CID 142481859) has the molecular formula C45H32N2S and a molecular weight of 632.83 g/mol. Its IUPAC name is [6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine.

Molecular Properties

Compound Name[6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine
PubChem CID142481859
Molecular FormulaC45H32N2S
Molecular Weight632.83 g/mol
Exact Mass632.23
IUPAC Name[6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine
SMILES[H]/N=C/c1cccc2c1-c1cc(-c3ccccc3-c3ccccc3SC)ccc1C21c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C45H32N2S/c1-48-43-25-12-7-19-35(43)34-18-6-5-17-33(34)30-26-27-37-36(28-30)44-31(29-46)14-13-22-40(44)45(37)38-20-8-10-23-41(38)47(32-15-3-2-4-16-32)42-24-11-9-21-39(42)45/h2-29,46H,1H3/b46-29+
InChIKeyVROBWGDNMUEBHS-ZHZMQRCZSA-N
XLogP11.89
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.83
LogP ≤ 511.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
[9,9-dimethyl-6'-[4-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-yl]methanimine
CID 142480301
4'-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521327
(Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene
CID 145334582
10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166841
N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240457
N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166771
3'-(3,5-diphenylphenyl)-5'-(4-ethyl-6-phenyl-2-pyridinyl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 142481822
10-phenyl-N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240469
N,N,10-triphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 134309245
N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166847

Frequently Asked Questions

What is the IUPAC name of [6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine?
The IUPAC name of [6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine (CID 142481859) is [6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine.
What is the SMILES notation for [6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine?
The canonical SMILES for [6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine is [H]/N=C/c1cccc2c1-c1cc(-c3ccccc3-c3ccccc3SC)ccc1C21c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of [6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine?
The InChIKey is VROBWGDNMUEBHS-ZHZMQRCZSA-N. The full InChI is InChI=1S/C45H32N2S/c1-48-43-25-12-7-19-35(43)34-18-6-5-17-33(34)30-26-27-37-36(28-30)44-31(29-46)14-13-22-40(44)45(37)38-20-8-10-23-41(38)47(32-15-3-2-4-16-32)42-24-11-9-21-39(42)45/h2-29,46H,1H3/b46-29+.
What are the key properties of [6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine?
[6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine has a molecular weight of 632.83 g/mol, XLogP of 11.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6'-[2-(2-methylsulfanylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-yl]methanimine is sourced from PubChem (CID 142481859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).