N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine

C61H39NOS — CID 121391806

IUPACN-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C61H39NOS/c1-2-14-40(15-3-1)41-26-31-44(32-27-41)62(46-35-36-52-51-20-8-13-25-59(51)64-60(52)39-46)45-33-28-42(29-34-45)43-30-37-58-56(38-43)61(55-23-11-12-24-57(55)63-58)53-21-9-6-18-49(53)47-16-4-5-17-48(47)50-19-7-10-22-54(50)61/h1-39H
InChIKeyGWMKLRDWOMJNPV-UHFFFAOYSA-N
MW834.06 g/mol
LogP16.99
Rot. Bonds5

About N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine

N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine (PubChem CID 121391806) has the molecular formula C61H39NOS and a molecular weight of 834.06 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine
PubChem CID121391806
Molecular FormulaC61H39NOS
Molecular Weight834.06 g/mol
Exact Mass833.28
IUPAC NameN-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C61H39NOS/c1-2-14-40(15-3-1)41-26-31-44(32-27-41)62(46-35-36-52-51-20-8-13-25-59(51)64-60(52)39-46)45-33-28-42(29-34-45)43-30-37-58-56(38-43)61(55-23-11-12-24-57(55)63-58)53-21-9-6-18-49(53)47-16-4-5-17-48(47)50-19-7-10-22-54(50)61/h1-39H
InChIKeyGWMKLRDWOMJNPV-UHFFFAOYSA-N
XLogP16.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.06
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine (CID 121391806) is N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine?
The InChIKey is GWMKLRDWOMJNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NOS/c1-2-14-40(15-3-1)41-26-31-44(32-27-41)62(46-35-36-52-51-20-8-13-25-59(51)64-60(52)39-46)45-33-28-42(29-34-45)43-30-37-58-56(38-43)61(55-23-11-12-24-57(55)63-58)53-21-9-6-18-49(53)47-16-4-5-17-48(47)50-19-7-10-22-54(50)61/h1-39H.
What are the key properties of N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine?
N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 834.06 g/mol, XLogP of 16.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 121391806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).