N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine

C55H41NO2 — CID 162771509

IUPACN-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)ccc2C1(C)C
InChIInChI=1S/C55H41NO2/c1-53(2)41-21-10-8-19-36(41)38-31-35(29-30-42(38)54(53,3)4)56(34-17-6-5-7-18-34)47-25-16-28-50-52(47)40-32-39-37-20-9-11-22-43(37)55(46(39)33-51(40)58-50)44-23-12-14-26-48(44)57-49-27-15-13-24-45(49)55/h5-33H,1-4H3
InChIKeyVIDQHBOBNIXKLW-UHFFFAOYSA-N
MW747.94 g/mol
LogP14.76
Rot. Bonds3

About N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine

N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine (PubChem CID 162771509) has the molecular formula C55H41NO2 and a molecular weight of 747.94 g/mol. Its IUPAC name is N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine.

Molecular Properties

Compound NameN-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine
PubChem CID162771509
Molecular FormulaC55H41NO2
Molecular Weight747.94 g/mol
Exact Mass747.31
IUPAC NameN-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)ccc2C1(C)C
InChIInChI=1S/C55H41NO2/c1-53(2)41-21-10-8-19-36(41)38-31-35(29-30-42(38)54(53,3)4)56(34-17-6-5-7-18-34)47-25-16-28-50-52(47)40-32-39-37-20-9-11-22-43(37)55(46(39)33-51(40)58-50)44-23-12-14-26-48(44)57-49-27-15-13-24-45(49)55/h5-33H,1-4H3
InChIKeyVIDQHBOBNIXKLW-UHFFFAOYSA-N
XLogP14.76
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.94
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-amine
CID 170353028
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
N-dibenzofuran-3-yl-N-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]-4-amine
CID 162771468
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463025
7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine
CID 155483351
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476111
N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771338

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine?
The IUPAC name of N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine (CID 162771509) is N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine.
What is the SMILES notation for N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine?
The canonical SMILES for N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)ccc2C1(C)C.
What is the InChIKey of N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine?
The InChIKey is VIDQHBOBNIXKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41NO2/c1-53(2)41-21-10-8-19-36(41)38-31-35(29-30-42(38)54(53,3)4)56(34-17-6-5-7-18-34)47-25-16-28-50-52(47)40-32-39-37-20-9-11-22-43(37)55(46(39)33-51(40)58-50)44-23-12-14-26-48(44)57-49-27-15-13-24-45(49)55/h5-33H,1-4H3.
What are the key properties of N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine?
N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine has a molecular weight of 747.94 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(9,9,10,10-tetramethylphenanthren-3-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-amine is sourced from PubChem (CID 162771509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).