N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine

C47H31NO — CID 167177758

IUPACN-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C47H31NO/c1-2-14-36(15-3-1)48(37-26-24-33(25-27-37)35-23-22-32-12-4-5-13-34(32)30-35)38-28-29-42-40(31-38)39-16-6-7-17-41(39)47(42)43-18-8-10-20-45(43)49-46-21-11-9-19-44(46)47/h1-31H
InChIKeyRZNJSPJJYFFTDW-UHFFFAOYSA-N
MW625.77 g/mol
LogP12.45
Rot. Bonds4

About N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine

N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 167177758) has the molecular formula C47H31NO and a molecular weight of 625.77 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
PubChem CID167177758
Molecular FormulaC47H31NO
Molecular Weight625.77 g/mol
Exact Mass625.24
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C47H31NO/c1-2-14-36(15-3-1)48(37-26-24-33(25-27-37)35-23-22-32-12-4-5-13-34(32)30-35)38-28-29-42-40(31-38)39-16-6-7-17-41(39)47(42)43-18-8-10-20-45(43)49-46-21-11-9-19-44(46)47/h1-31H
InChIKeyRZNJSPJJYFFTDW-UHFFFAOYSA-N
XLogP12.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.77
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 167176702
N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline
CID 172539696
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 167177755
N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline
CID 172539697
N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794128
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476078
N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 169293009
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138475982
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873
N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476072
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine (CID 167177758) is N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine?
The InChIKey is RZNJSPJJYFFTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NO/c1-2-14-36(15-3-1)48(37-26-24-33(25-27-37)35-23-22-32-12-4-5-13-34(32)30-35)38-28-29-42-40(31-38)39-16-6-7-17-41(39)47(42)43-18-8-10-20-45(43)49-46-21-11-9-19-44(46)47/h1-31H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine?
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine has a molecular weight of 625.77 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine is sourced from PubChem (CID 167177758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).