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

C43H27NO2 — CID 162771284

IUPACN,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
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4ccc5c(c4c3c2)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C43H27NO2/c1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-25-37-32(27-30)42-40(45-37)26-24-36-41(42)31-17-7-8-18-33(31)43(36)34-19-9-11-21-38(34)46-39-22-12-10-20-35(39)43/h1-27H
InChIKeyAHPKUBCLJPMLCR-UHFFFAOYSA-N
MW589.69 g/mol
LogP11.52
Rot. Bonds3

About 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

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 (PubChem CID 162771284) has the molecular formula C43H27NO2 and a molecular weight of 589.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID162771284
Molecular FormulaC43H27NO2
Molecular Weight589.69 g/mol
Exact Mass589.20
IUPAC NameN,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
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4ccc5c(c4c3c2)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C43H27NO2/c1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-25-37-32(27-30)42-40(45-37)26-24-36-41(42)31-17-7-8-18-33(31)43(36)34-19-9-11-21-38(34)46-39-22-12-10-20-35(39)43/h1-27H
InChIKeyAHPKUBCLJPMLCR-UHFFFAOYSA-N
XLogP11.52
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.69
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine
CID 162771437
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-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine
CID 138581262
12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine
CID 171402026
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine
CID 166959987
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-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-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-10-amine
CID 164730958
N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170272344

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3oc4ccc5c(c4c3c2)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is AHPKUBCLJPMLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO2/c1-3-13-28(14-4-1)44(29-15-5-2-6-16-29)30-23-25-37-32(27-30)42-40(45-37)26-24-36-41(42)31-17-7-8-18-33(31)43(36)34-19-9-11-21-38(34)46-39-22-12-10-20-35(39)43/h1-27H.
What are the key properties of 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?
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 has a molecular weight of 589.69 g/mol, XLogP of 11.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162771284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).