N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine

C37H25NO — CID 167165035

IUPACN,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C37H25NO/c1-3-13-26(14-4-1)38(27-15-5-2-6-16-27)28-23-24-30-29-17-7-8-18-31(29)37(34(30)25-28)32-19-9-11-21-35(32)39-36-22-12-10-20-33(36)37/h1-25H
InChIKeyRFKOVALYCQCLJC-UHFFFAOYSA-N
MW499.61 g/mol
LogP9.63
Rot. Bonds3

About N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine

N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 167165035) has the molecular formula C37H25NO and a molecular weight of 499.61 g/mol. Its IUPAC name is N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID167165035
Molecular FormulaC37H25NO
Molecular Weight499.61 g/mol
Exact Mass499.19
IUPAC NameN,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C37H25NO/c1-3-13-26(14-4-1)38(27-15-5-2-6-16-27)28-23-24-30-29-17-7-8-18-31(29)37(34(30)25-28)32-19-9-11-21-35(32)39-36-22-12-10-20-33(36)37/h1-25H
InChIKeyRFKOVALYCQCLJC-UHFFFAOYSA-N
XLogP9.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N~2~,N~2~,N~2'~,N~2'~,N~7~,N~7~,N~7'~,N~7'~-Octakis(4-methoxyphenyl)-9,9'-spirobi(fluorene)-2,2',7,7'-tetramine
CID 16161850
n2,n2,n7,n7-Tetra(4-methoxyphenyl)-9,9-dimethyl-9h-fluorene-2,7-diamine
CID 58883931
10-phenyl-10H-spiro[acridine-9,9'-xanthene]
CID 89628497
N2,N2,N7,N7-Tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine
CID 90153756
9,9-Bis[4-[(4-ethenylphenyl)methoxy]phenyl]-N2,N7-di-1-naphthalenyl-N2,N7-diphenyl-9H-fluorene-2,7-diamine
CID 101475253
[N,N-di(4-methoxyphenyl) amino]-9,9'-spirobifluorene
CID 129738186
N2,N2,N2',N2',N7,N7,N7',N7'-octakis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,2',7,7'-tetramine
CID 132604177
9,9-Dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile
CID 139205619
3-fluoro-N,N-diphenyl-4-(xanthen-9-ylidenemethyl)aniline
CID 20685489
7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine
CID 23593178
7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine
CID 23593262
1-Fluoro-2,2,4-trimethyl-5-[(2-methylphenyl)methylidene]chromeno[3,4-f]quinoline
CID 53681596

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine (CID 167165035) is N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is RFKOVALYCQCLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO/c1-3-13-26(14-4-1)38(27-15-5-2-6-16-27)28-23-24-30-29-17-7-8-18-31(29)37(34(30)25-28)32-19-9-11-21-35(32)39-36-22-12-10-20-33(36)37/h1-25H.
What are the key properties of N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine?
N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 499.61 g/mol, XLogP of 9.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 167165035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).