N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine

C49H29NO3 — CID 162771437

IUPACN-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4c5c(ccc4c3c2)C2(c3ccccc3Oc3ccccc32)c2ccccc2-5)cc1
InChIInChI=1S/C49H29NO3/c1-2-12-30(13-3-1)50(32-22-24-34-33-14-5-9-19-42(33)51-46(34)29-32)31-23-27-43-37(28-31)35-25-26-41-47(48(35)53-43)36-15-4-6-16-38(36)49(41)39-17-7-10-20-44(39)52-45-21-11-8-18-40(45)49/h1-29H
InChIKeyCLSQHQCPMDUGOJ-UHFFFAOYSA-N
MW679.78 g/mol
LogP13.42
Rot. Bonds3

About N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine

N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine (PubChem CID 162771437) has the molecular formula C49H29NO3 and a molecular weight of 679.78 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine
PubChem CID162771437
Molecular FormulaC49H29NO3
Molecular Weight679.78 g/mol
Exact Mass679.21
IUPAC NameN-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4c5c(ccc4c3c2)C2(c3ccccc3Oc3ccccc32)c2ccccc2-5)cc1
InChIInChI=1S/C49H29NO3/c1-2-12-30(13-3-1)50(32-22-24-34-33-14-5-9-19-42(33)51-46(34)29-32)31-23-27-43-37(28-31)35-25-26-41-47(48(35)53-43)36-15-4-6-16-38(36)49(41)39-17-7-10-20-44(39)52-45-21-11-8-18-40(45)49/h1-29H
InChIKeyCLSQHQCPMDUGOJ-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

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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[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,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-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-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
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-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine
CID 138581262
N-([1]benzofuro[3,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 163417846
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 162771327
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-10-amine
CID 164730958

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine (CID 162771437) is N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4c5c(ccc4c3c2)C2(c3ccccc3Oc3ccccc32)c2ccccc2-5)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine?
The InChIKey is CLSQHQCPMDUGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO3/c1-2-12-30(13-3-1)50(32-22-24-34-33-14-5-9-19-42(33)51-46(34)29-32)31-23-27-43-37(28-31)35-25-26-41-47(48(35)53-43)36-15-4-6-16-38(36)49(41)39-17-7-10-20-44(39)52-45-21-11-8-18-40(45)49/h1-29H.
What are the key properties of N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine?
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-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[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine is sourced from PubChem (CID 162771437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).