3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine

C55H39NO — CID 166849303

IUPAC3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine
SMILESc1ccc(C(Cc2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3c(N(c4ccccc4)c4ccccc4)cccc32)c2cccc3ccccc23)cc1
InChIInChI=1S/C55H39NO/c1-4-18-40(19-5-1)46(44-28-16-21-39-20-10-11-26-43(39)44)36-38-34-35-49-47(37-38)45-27-12-13-29-48(45)55(49)50-30-14-15-33-53(50)57-54-51(55)31-17-32-52(54)56(41-22-6-2-7-23-41)42-24-8-3-9-25-42/h1-35,37,46H,36H2
InChIKeyGKLDANIYMJJNLT-UHFFFAOYSA-N
MW729.92 g/mol
LogP14.15
Rot. Bonds7

About 3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine

3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine (PubChem CID 166849303) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is 3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine.

Molecular Properties

Compound Name3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine
PubChem CID166849303
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC Name3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine
SMILESc1ccc(C(Cc2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3c(N(c4ccccc4)c4ccccc4)cccc32)c2cccc3ccccc23)cc1
InChIInChI=1S/C55H39NO/c1-4-18-40(19-5-1)46(44-28-16-21-39-20-10-11-26-43(39)44)36-38-34-35-49-47(37-38)45-27-12-13-29-48(45)55(49)50-30-14-15-33-53(50)57-54-51(55)31-17-32-52(54)56(41-22-6-2-7-23-41)42-24-8-3-9-25-42/h1-35,37,46H,36H2
InChIKeyGKLDANIYMJJNLT-UHFFFAOYSA-N
XLogP14.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine
CID 167178088
N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine
CID 118134128
N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 155239548
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
N-phenyl-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 130265426
12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine
CID 161304661
N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118134188
N-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167176973
N-phenyl-N-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine
CID 172539722
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058
N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476176
N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine;N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine;N-phenyl-N-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 160545145

Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine?
The IUPAC name of 3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine (CID 166849303) is 3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine.
What is the SMILES notation for 3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine?
The canonical SMILES for 3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine is c1ccc(C(Cc2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3c(N(c4ccccc4)c4ccccc4)cccc32)c2cccc3ccccc23)cc1.
What is the InChIKey of 3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine?
The InChIKey is GKLDANIYMJJNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-4-18-40(19-5-1)46(44-28-16-21-39-20-10-11-26-43(39)44)36-38-34-35-49-47(37-38)45-27-12-13-29-48(45)55(49)50-30-14-15-33-53(50)57-54-51(55)31-17-32-52(54)56(41-22-6-2-7-23-41)42-24-8-3-9-25-42/h1-35,37,46H,36H2.
What are the key properties of 3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine?
3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine has a molecular weight of 729.92 g/mol, XLogP of 14.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-1-yl-2-phenylethyl)-N,N-diphenylspiro[fluorene-9,9'-xanthene]-4'-amine is sourced from PubChem (CID 166849303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).