N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine

C49H33NO — CID 170240662

IUPACN,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4O3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C49H33NO/c1-5-15-34(16-6-1)36-25-29-47-45(31-36)49(46-32-37(26-30-48(46)51-47)35-17-7-2-8-18-35)43-24-14-13-23-41(43)42-28-27-40(33-44(42)49)50(38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-33H
InChIKeyYOCZQPUSUDVVLJ-UHFFFAOYSA-N
MW651.81 g/mol
LogP12.96
Rot. Bonds5

About N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine

N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 170240662) has the molecular formula C49H33NO and a molecular weight of 651.81 g/mol. Its IUPAC name is N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID170240662
Molecular FormulaC49H33NO
Molecular Weight651.81 g/mol
Exact Mass651.26
IUPAC NameN,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4O3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C49H33NO/c1-5-15-34(16-6-1)36-25-29-47-45(31-36)49(46-32-37(26-30-48(46)51-47)35-17-7-2-8-18-35)43-24-14-13-23-41(43)42-28-27-40(33-44(42)49)50(38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-33H
InChIKeyYOCZQPUSUDVVLJ-UHFFFAOYSA-N
XLogP12.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenylspiro[fluorene-9,9'-xanthene]-2,2',7,7'-tetramine
CID 132604176
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873

Frequently Asked Questions

What is the IUPAC name of N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine (CID 170240662) is N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4O3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1.
What is the InChIKey of N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is YOCZQPUSUDVVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO/c1-5-15-34(16-6-1)36-25-29-47-45(31-36)49(46-32-37(26-30-48(46)51-47)35-17-7-2-8-18-35)43-24-14-13-23-41(43)42-28-27-40(33-44(42)49)50(38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-33H.
What are the key properties of N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine?
N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 651.81 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 170240662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).