N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine

C49H31NO2 — CID 167176662

IUPACN-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C49H31NO2/c1-2-14-34(15-3-1)50(36-26-27-39-38-18-5-9-22-45(38)51-48(39)31-36)35-16-12-13-32(29-35)33-25-28-42-40(30-33)37-17-4-6-19-41(37)49(42)43-20-7-10-23-46(43)52-47-24-11-8-21-44(47)49/h1-31H
InChIKeyVNNHDQVUSQXXJY-UHFFFAOYSA-N
MW665.79 g/mol
LogP13.19
Rot. Bonds4

About N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine

N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine (PubChem CID 167176662) has the molecular formula C49H31NO2 and a molecular weight of 665.79 g/mol. Its IUPAC name is N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
PubChem CID167176662
Molecular FormulaC49H31NO2
Molecular Weight665.79 g/mol
Exact Mass665.24
IUPAC NameN-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C49H31NO2/c1-2-14-34(15-3-1)50(36-26-27-39-38-18-5-9-22-45(38)51-48(39)31-36)35-16-12-13-32(29-35)33-25-28-42-40(30-33)37-17-4-6-19-41(37)49(42)43-20-7-10-23-46(43)52-47-24-11-8-21-44(47)49/h1-31H
InChIKeyVNNHDQVUSQXXJY-UHFFFAOYSA-N
XLogP13.19
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.79
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine
CID 166960071
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476993
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[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 138568873
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801
N-([1]benzofuro[3,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 163417846
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308762

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine (CID 167176662) is N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine is c1ccc(N(c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine?
The InChIKey is VNNHDQVUSQXXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO2/c1-2-14-34(15-3-1)50(36-26-27-39-38-18-5-9-22-45(38)51-48(39)31-36)35-16-12-13-32(29-35)33-25-28-42-40(30-33)37-17-4-6-19-41(37)49(42)43-20-7-10-23-46(43)52-47-24-11-8-21-44(47)49/h1-31H.
What are the key properties of N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine?
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine has a molecular weight of 665.79 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 167176662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).