N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine

C49H31NO2 — CID 174232918

IUPACN-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C49H31NO2/c1-2-12-32(13-3-1)33-22-24-34(25-23-33)50(35-26-28-40-39-16-6-10-20-45(39)51-47(40)30-35)36-27-29-44-48(31-36)52-46-21-11-9-19-43(46)49(44)41-17-7-4-14-37(41)38-15-5-8-18-42(38)49/h1-31H
InChIKeyKMMWNIOUIABPEV-UHFFFAOYSA-N
MW665.79 g/mol
LogP13.19
Rot. Bonds4

About N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine

N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine (PubChem CID 174232918) has the molecular formula C49H31NO2 and a molecular weight of 665.79 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
PubChem CID174232918
Molecular FormulaC49H31NO2
Molecular Weight665.79 g/mol
Exact Mass665.24
IUPAC NameN-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C49H31NO2/c1-2-12-32(13-3-1)33-22-24-34(25-23-33)50(35-26-28-40-39-16-6-10-20-45(39)51-47(40)30-35)36-27-29-44-48(31-36)52-46-21-11-9-19-43(46)49(44)41-17-7-4-14-37(41)38-15-5-8-18-42(38)49/h1-31H
InChIKeyKMMWNIOUIABPEV-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-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
N-([1]benzofuro[3,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 163417846
N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine
CID 166960071
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine
CID 146365117
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463127
N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365158
4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline
CID 118698577
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-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
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[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine (CID 174232918) is N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine?
The InChIKey is KMMWNIOUIABPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO2/c1-2-12-32(13-3-1)33-22-24-34(25-23-33)50(35-26-28-40-39-16-6-10-20-45(39)51-47(40)30-35)36-27-29-44-48(31-36)52-46-21-11-9-19-43(46)49(44)41-17-7-4-14-37(41)38-15-5-8-18-42(38)49/h1-31H.
What are the key properties of N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine?
N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-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-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine is sourced from PubChem (CID 174232918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).