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

C37H21NO3 — CID 146176135

IUPAC6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one
SMILESO=c1c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2oc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C37H21NO3/c39-36-28-16-15-24(21-34(28)40-33-19-14-23(20-29(33)36)22-8-2-1-3-9-22)38-30-12-6-4-11-27(30)35-31(38)18-17-26-25-10-5-7-13-32(25)41-37(26)35/h1-21H
InChIKeyTZQTVUIIFTZTGI-UHFFFAOYSA-N
MW527.58 g/mol
LogP9.61
Rot. Bonds2

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

6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one (PubChem CID 146176135) has the molecular formula C37H21NO3 and a molecular weight of 527.58 g/mol. Its IUPAC name is 6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one.

Molecular Properties

Compound Name6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one
PubChem CID146176135
Molecular FormulaC37H21NO3
Molecular Weight527.58 g/mol
Exact Mass527.15
IUPAC Name6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one
SMILESO=c1c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2oc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C37H21NO3/c39-36-28-16-15-24(21-34(28)40-33-19-14-23(20-29(33)36)22-8-2-1-3-9-22)38-30-12-6-4-11-27(30)35-31(38)18-17-26-25-10-5-7-13-32(25)41-37(26)35/h1-21H
InChIKeyTZQTVUIIFTZTGI-UHFFFAOYSA-N
XLogP9.61
TPSA48.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.58
LogP ≤ 59.61
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

5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
6-(4-dibenzofuran-2-ylphenyl)-24-phenyl-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;ethane
CID 144604260
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 163950755
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)xanthen-9-one
CID 146175933
6-([1]benzofuro[3,2-c]carbazol-5-yl)-3,4-dimethylxanthen-9-one
CID 146176032
9-dibenzofuran-3-yl-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzofuran-3-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 165079069
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
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801

Frequently Asked Questions

What is the IUPAC name of 6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one?
The IUPAC name of 6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one (CID 146176135) is 6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one.
What is the SMILES notation for 6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one?
The canonical SMILES for 6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one is O=c1c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2oc2ccc(-c3ccccc3)cc12.
What is the InChIKey of 6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one?
The InChIKey is TZQTVUIIFTZTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NO3/c39-36-28-16-15-24(21-34(28)40-33-19-14-23(20-29(33)36)22-8-2-1-3-9-22)38-30-12-6-4-11-27(30)35-31(38)18-17-26-25-10-5-7-13-32(25)41-37(26)35/h1-21H.
What are the key properties of 6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one?
6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one has a molecular weight of 527.58 g/mol, XLogP of 9.61, 2 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)-2-phenylxanthen-9-one is sourced from PubChem (CID 146176135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).