3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione

C32H19NO4 — CID 164765343

IUPAC3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione
SMILESO=c1c2ccccc2oc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c(=O)c3cc12
InChIInChI=1S/C32H19NO4/c34-31-23-13-7-8-14-27(23)36-29-19-30-26(18-25(29)31)32(35)24-16-15-22(17-28(24)37-30)33(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19H
InChIKeyRJBKGMFMHPSUAD-UHFFFAOYSA-N
MW481.51 g/mol
LogP7.68
Rot. Bonds3

About 3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione

3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione (PubChem CID 164765343) has the molecular formula C32H19NO4 and a molecular weight of 481.51 g/mol. Its IUPAC name is 3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione.

Molecular Properties

Compound Name3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione
PubChem CID164765343
Molecular FormulaC32H19NO4
Molecular Weight481.51 g/mol
Exact Mass481.13
IUPAC Name3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione
SMILESO=c1c2ccccc2oc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c(=O)c3cc12
InChIInChI=1S/C32H19NO4/c34-31-23-13-7-8-14-27(23)36-29-19-30-26(18-25(29)31)32(35)24-16-15-22(17-28(24)37-30)33(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19H
InChIKeyRJBKGMFMHPSUAD-UHFFFAOYSA-N
XLogP7.68
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.51
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one
CID 164758765
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
6-(N-cyclohexa-1,5-dien-1-ylanilino)-2-(N-phenylanilino)xanthen-9-one
CID 145444862
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-phenyl-N-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 138651086
8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
CID 170235172
2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one
CID 142288898
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine
CID 126629752

Frequently Asked Questions

What is the IUPAC name of 3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione?
The IUPAC name of 3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione (CID 164765343) is 3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione.
What is the SMILES notation for 3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione?
The canonical SMILES for 3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione is O=c1c2ccccc2oc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c(=O)c3cc12.
What is the InChIKey of 3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione?
The InChIKey is RJBKGMFMHPSUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NO4/c34-31-23-13-7-8-14-27(23)36-29-19-30-26(18-25(29)31)32(35)24-16-15-22(17-28(24)37-30)33(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19H.
What are the key properties of 3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione?
3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione has a molecular weight of 481.51 g/mol, XLogP of 7.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione is sourced from PubChem (CID 164765343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).