2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one

C43H26N2O3 — CID 142288898

IUPAC2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-n3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4cc5oc6ccccc6c5cc43)cc12
InChIInChI=1S/C43H26N2O3/c46-43-33-16-8-10-18-40(33)47-41-22-20-29(23-36(41)43)45-37-24-30(44(27-11-3-1-4-12-27)28-13-5-2-6-14-28)19-21-31(37)34-26-42-35(25-38(34)45)32-15-7-9-17-39(32)48-42/h1-26H
InChIKeyNPLOPZRCOVPPJA-UHFFFAOYSA-N
MW618.69 g/mol
LogP11.41
Rot. Bonds4

About 2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one

2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one (PubChem CID 142288898) has the molecular formula C43H26N2O3 and a molecular weight of 618.69 g/mol. Its IUPAC name is 2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one.

Molecular Properties

Compound Name2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one
PubChem CID142288898
Molecular FormulaC43H26N2O3
Molecular Weight618.69 g/mol
Exact Mass618.19
IUPAC Name2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-n3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4cc5oc6ccccc6c5cc43)cc12
InChIInChI=1S/C43H26N2O3/c46-43-33-16-8-10-18-40(33)47-41-22-20-29(23-36(41)43)45-37-24-30(44(27-11-3-1-4-12-27)28-13-5-2-6-14-28)19-21-31(37)34-26-42-35(25-38(34)45)32-15-7-9-17-39(32)48-42/h1-26H
InChIKeyNPLOPZRCOVPPJA-UHFFFAOYSA-N
XLogP11.41
TPSA51.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.69
LogP ≤ 511.41
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

N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine
CID 90050696
9-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333364
N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
9-dibenzofuran-2-yl-N-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 118333380
3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one
CID 142288894
3-N,3-N,9-N,9-N-tetraphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-b]carbazole-3,9-diamine
CID 118122343
3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione
CID 164765343
8-N,22-N-bis(3-carbazol-9-ylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 164999307
N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 90321281
9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333340
4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164572
5-[7-(N-dibenzofuran-2-ylanilino)-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588588

Frequently Asked Questions

What is the IUPAC name of 2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one?
The IUPAC name of 2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one (CID 142288898) is 2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one.
What is the SMILES notation for 2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one?
The canonical SMILES for 2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one is O=c1c2ccccc2oc2ccc(-n3c4cc(N(c5ccccc5)c5ccccc5)ccc4c4cc5oc6ccccc6c5cc43)cc12.
What is the InChIKey of 2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one?
The InChIKey is NPLOPZRCOVPPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O3/c46-43-33-16-8-10-18-40(33)47-41-22-20-29(23-36(41)43)45-37-24-30(44(27-11-3-1-4-12-27)28-13-5-2-6-14-28)19-21-31(37)34-26-42-35(25-38(34)45)32-15-7-9-17-39(32)48-42/h1-26H.
What are the key properties of 2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one?
2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one has a molecular weight of 618.69 g/mol, XLogP of 11.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(N-phenylanilino)-[1]benzofuro[3,2-b]carbazol-11-yl]xanthen-9-one is sourced from PubChem (CID 142288898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).