5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine

C33H25N — CID 129311002

IUPAC5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1cccc(Cc2cccc3c2-c2ccc(N)cc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C33H25N/c1-21-8-6-9-22(18-21)19-23-10-7-15-30-32(23)27-17-16-24(34)20-31(27)33(30)28-13-4-2-11-25(28)26-12-3-5-14-29(26)33/h2-18,20H,19,34H2,1H3
InChIKeyGDVAXRVYLITUNE-UHFFFAOYSA-N
MW435.57 g/mol
LogP7.51
Rot. Bonds2

About 5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine

5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 129311002) has the molecular formula C33H25N and a molecular weight of 435.57 g/mol. Its IUPAC name is 5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine
PubChem CID129311002
Molecular FormulaC33H25N
Molecular Weight435.57 g/mol
Exact Mass435.20
IUPAC Name5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1cccc(Cc2cccc3c2-c2ccc(N)cc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C33H25N/c1-21-8-6-9-22(18-21)19-23-10-7-15-30-32(23)27-17-16-24(34)20-31(27)33(30)28-13-4-2-11-25(28)26-12-3-5-14-29(26)33/h2-18,20H,19,34H2,1H3
InChIKeyGDVAXRVYLITUNE-UHFFFAOYSA-N
XLogP7.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
5'-benzyl-3',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142480511
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
5'-benzyl-9,9'-spirobi[fluorene]-1'-amine
CID 166668134
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191
4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 147357174
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene
CID 58233535
2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene]
CID 159574757

Frequently Asked Questions

What is the IUPAC name of 5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine (CID 129311002) is 5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine is Cc1cccc(Cc2cccc3c2-c2ccc(N)cc2C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is GDVAXRVYLITUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N/c1-21-8-6-9-22(18-21)19-23-10-7-15-30-32(23)27-17-16-24(34)20-31(27)33(30)28-13-4-2-11-25(28)26-12-3-5-14-29(26)33/h2-18,20H,19,34H2,1H3.
What are the key properties of 5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine?
5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 435.57 g/mol, XLogP of 7.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 129311002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).