3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one

C33H23NO2 — CID 165377193

IUPAC3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
SMILESCc1cccc2c3cccc(C)c3n(-c3cccc(-c4ccc5c(=O)c6ccccc6oc5c4)c3)c12
InChIInChI=1S/C33H23NO2/c1-20-8-5-13-25-26-14-6-9-21(2)32(26)34(31(20)25)24-11-7-10-22(18-24)23-16-17-28-30(19-23)36-29-15-4-3-12-27(29)33(28)35/h3-19H,1-2H3
InChIKeyAQPJLGPFRGCDOA-UHFFFAOYSA-N
MW465.55 g/mol
LogP8.33
Rot. Bonds2

About 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one

3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one (PubChem CID 165377193) has the molecular formula C33H23NO2 and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one.

Molecular Properties

Compound Name3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
PubChem CID165377193
Molecular FormulaC33H23NO2
Molecular Weight465.55 g/mol
Exact Mass465.17
IUPAC Name3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
SMILESCc1cccc2c3cccc(C)c3n(-c3cccc(-c4ccc5c(=O)c6ccccc6oc5c4)c3)c12
InChIInChI=1S/C33H23NO2/c1-20-8-5-13-25-26-14-6-9-21(2)32(26)34(31(20)25)24-11-7-10-22(18-24)23-16-17-28-30(19-23)36-29-15-4-3-12-27(29)33(28)35/h3-19H,1-2H3
InChIKeyAQPJLGPFRGCDOA-UHFFFAOYSA-N
XLogP8.33
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377162
6-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,3-diphenylxanthen-9-one
CID 165377171
2-[3-(12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-6-phenylxanthen-9-one
CID 146175877
7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione
CID 164758629
2-[3-(12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-7-phenylxanthen-9-one
CID 146175878
3-carbazol-9-yl-6-[3-(1,8-dimethylcarbazol-9-yl)phenyl]telluroxanthen-9-one
CID 165377158
3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one
CID 165377258
3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one
CID 165377177
3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one
CID 142288913
3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one
CID 142288894
2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377181
3-[3-(14-oxa-5,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]xanthen-9-one
CID 146186109

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one?
The IUPAC name of 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one (CID 165377193) is 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one.
What is the SMILES notation for 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one?
The canonical SMILES for 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one is Cc1cccc2c3cccc(C)c3n(-c3cccc(-c4ccc5c(=O)c6ccccc6oc5c4)c3)c12.
What is the InChIKey of 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one?
The InChIKey is AQPJLGPFRGCDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NO2/c1-20-8-5-13-25-26-14-6-9-21(2)32(26)34(31(20)25)24-11-7-10-22(18-24)23-16-17-28-30(19-23)36-29-15-4-3-12-27(29)33(28)35/h3-19H,1-2H3.
What are the key properties of 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one?
3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one has a molecular weight of 465.55 g/mol, XLogP of 8.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one is sourced from PubChem (CID 165377193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).