6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one

C33H21NO3 — CID 146176032

IUPAC6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one
SMILESCc1ccc2c(=O)c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3oc2c1C
InChIInChI=1S/C33H21NO3/c1-18-11-13-25-31(35)24-14-12-20(17-29(24)37-32(25)19(18)2)34-26-9-5-3-8-23(26)30-27(34)16-15-22-21-7-4-6-10-28(21)36-33(22)30/h3-17H,1-2H3
InChIKeyNZEJJXVVNDTKRG-UHFFFAOYSA-N
MW479.54 g/mol
LogP8.56
Rot. Bonds1

About 6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one

6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one (PubChem CID 146176032) has the molecular formula C33H21NO3 and a molecular weight of 479.54 g/mol. Its IUPAC name is 6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one.

Molecular Properties

Compound Name6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one
PubChem CID146176032
Molecular FormulaC33H21NO3
Molecular Weight479.54 g/mol
Exact Mass479.15
IUPAC Name6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one
SMILESCc1ccc2c(=O)c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3oc2c1C
InChIInChI=1S/C33H21NO3/c1-18-11-13-25-31(35)24-14-12-20(17-29(24)37-32(25)19(18)2)34-26-9-5-3-8-23(26)30-27(34)16-15-22-21-7-4-6-10-28(21)36-33(22)30/h3-17H,1-2H3
InChIKeyNZEJJXVVNDTKRG-UHFFFAOYSA-N
XLogP8.56
TPSA48.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one
CID 146176135
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 155761861
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
5-(1,2-diphenylbenzimidazol-5-yl)-[1]benzofuro[3,2-c]carbazole
CID 90324654
6-phenyl-24-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736677
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 163950755

Frequently Asked Questions

What is the IUPAC name of 6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one?
The IUPAC name of 6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one (CID 146176032) is 6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one.
What is the SMILES notation for 6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one?
The canonical SMILES for 6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one is Cc1ccc2c(=O)c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3oc2c1C.
What is the InChIKey of 6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one?
The InChIKey is NZEJJXVVNDTKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21NO3/c1-18-11-13-25-31(35)24-14-12-20(17-29(24)37-32(25)19(18)2)34-26-9-5-3-8-23(26)30-27(34)16-15-22-21-7-4-6-10-28(21)36-33(22)30/h3-17H,1-2H3.
What are the key properties of 6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one?
6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one has a molecular weight of 479.54 g/mol, XLogP of 8.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one is sourced from PubChem (CID 146176032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).