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

C49H29NO3 — CID 162771468

IUPACN-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
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3oc4ccc5c(c4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C49H29NO3/c1-2-13-30(14-3-1)50(31-25-26-33-32-15-5-9-21-40(32)51-45(33)29-31)39-20-12-24-43-47(39)48-44(53-43)28-27-38-46(48)34-16-4-6-17-35(34)49(38)36-18-7-10-22-41(36)52-42-23-11-8-19-37(42)49/h1-29H
InChIKeyJQUJWUFOWZOVCN-UHFFFAOYSA-N
MW679.78 g/mol
LogP13.42
Rot. Bonds3

About 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

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 (PubChem CID 162771468) has the molecular formula C49H29NO3 and a molecular weight of 679.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID162771468
Molecular FormulaC49H29NO3
Molecular Weight679.78 g/mol
Exact Mass679.21
IUPAC NameN-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
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3oc4ccc5c(c4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C49H29NO3/c1-2-13-30(14-3-1)50(31-25-26-33-32-15-5-9-21-40(32)51-45(33)29-31)39-20-12-24-43-47(39)48-44(53-43)28-27-38-46(48)34-16-4-6-17-35(34)49(38)36-18-7-10-22-41(36)52-42-23-11-8-19-37(42)49/h1-29H
InChIKeyJQUJWUFOWZOVCN-UHFFFAOYSA-N
XLogP13.42
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.78
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 163790193
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine
CID 162771437
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-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-4-yl-N-triphenylen-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 160969279
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-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 162771327
N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3oc4ccc5c(c4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is JQUJWUFOWZOVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO3/c1-2-13-30(14-3-1)50(31-25-26-33-32-15-5-9-21-40(32)51-45(33)29-31)39-20-12-24-43-47(39)48-44(53-43)28-27-38-46(48)34-16-4-6-17-35(34)49(38)36-18-7-10-22-41(36)52-42-23-11-8-19-37(42)49/h1-29H.
What are the key properties of 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?
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 has a molecular weight of 679.78 g/mol, XLogP of 13.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162771468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).