N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline

C55H35NO2 — CID 162771490

IUPACN-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)oc4ccc6c(c45)-c4ccccc4C64c5ccccc5Oc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C55H35NO2/c1-3-14-36(15-4-1)37-26-29-41(30-27-37)56(40-17-5-2-6-18-40)42-19-13-16-38(34-42)39-28-31-44-52(35-39)58-51-33-32-48-53(54(44)51)43-20-7-8-21-45(43)55(48)46-22-9-11-24-49(46)57-50-25-12-10-23-47(50)55/h1-35H
InChIKeyYIDDYJFIEKSDKQ-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.86
Rot. Bonds5

About N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline

N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline (PubChem CID 162771490) has the molecular formula C55H35NO2 and a molecular weight of 741.89 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline
PubChem CID162771490
Molecular FormulaC55H35NO2
Molecular Weight741.89 g/mol
Exact Mass741.27
IUPAC NameN-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)oc4ccc6c(c45)-c4ccccc4C64c5ccccc5Oc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C55H35NO2/c1-3-14-36(15-4-1)37-26-29-41(30-27-37)56(40-17-5-2-6-18-40)42-19-13-16-38(34-42)39-28-31-44-52(35-39)58-51-33-32-48-53(54(44)51)43-20-7-8-21-45(43)55(48)46-22-9-11-24-49(46)57-50-25-12-10-23-47(50)55/h1-35H
InChIKeyYIDDYJFIEKSDKQ-UHFFFAOYSA-N
XLogP14.86
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline with MolForge

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Related Compounds

N,N-diphenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-5-amine
CID 162771284
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477053
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476345
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476230
7'-phenyl-N,N-bis(4-phenylphenyl)spiro[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'-fluorene]-2'-amine
CID 122504195
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477772
N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 159195923
N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477025
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 138476242
2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylpyrimidine
CID 146832113

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline (CID 162771490) is N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)oc4ccc6c(c45)-c4ccccc4C64c5ccccc5Oc5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline?
The InChIKey is YIDDYJFIEKSDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO2/c1-3-14-36(15-4-1)37-26-29-41(30-27-37)56(40-17-5-2-6-18-40)42-19-13-16-38(34-42)39-28-31-44-52(35-39)58-51-33-32-48-53(54(44)51)43-20-7-8-21-45(43)55(48)46-22-9-11-24-49(46)57-50-25-12-10-23-47(50)55/h1-35H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline?
N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline has a molecular weight of 741.89 g/mol, XLogP of 14.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline is sourced from PubChem (CID 162771490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).