N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine

C36H31N — CID 166028530

IUPACN-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2
InChIInChI=1S/C36H31N/c1-37(30-19-17-29(18-20-30)28-15-13-27(14-16-28)26-9-3-2-4-10-26)31-21-22-33-32-11-5-6-12-34(32)36(35(33)25-31)23-7-8-24-36/h2-6,9-22,25H,7-8,23-24H2,1H3
InChIKeyKFFPGWFQYOTFEX-UHFFFAOYSA-N
MW477.65 g/mol
LogP9.63
Rot. Bonds4

About N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine

N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 166028530) has the molecular formula C36H31N and a molecular weight of 477.65 g/mol. Its IUPAC name is N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
PubChem CID166028530
Molecular FormulaC36H31N
Molecular Weight477.65 g/mol
Exact Mass477.25
IUPAC NameN-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2
InChIInChI=1S/C36H31N/c1-37(30-19-17-29(18-20-30)28-15-13-27(14-16-28)26-9-3-2-4-10-26)31-21-22-33-32-11-5-6-12-34(32)36(35(33)25-31)23-7-8-24-36/h2-6,9-22,25H,7-8,23-24H2,1H3
InChIKeyKFFPGWFQYOTFEX-UHFFFAOYSA-N
XLogP9.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-(4-phenylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 70891401
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 90277845
7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-[4-(N-[7'-(4-phenyl-N-(4-phenylphenyl)anilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 59025081
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 160501887
N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672313
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
N-(4-phenylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672380
2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 58672384
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine
CID 66807438
4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 166718125
1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 59025076

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The IUPAC name of N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (CID 166028530) is N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is CN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)C1(CCCC1)c1ccccc1-2.
What is the InChIKey of N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The InChIKey is KFFPGWFQYOTFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N/c1-37(30-19-17-29(18-20-30)28-15-13-27(14-16-28)26-9-3-2-4-10-26)31-21-22-33-32-11-5-6-12-34(32)36(35(33)25-31)23-7-8-24-36/h2-6,9-22,25H,7-8,23-24H2,1H3.
What are the key properties of N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 477.65 g/mol, XLogP of 9.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 166028530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).