2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one

C33H23NO2 — CID 165377162

IUPAC2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
SMILESCc1cccc2c3cccc(C)c3n(-c3ccc(-c4ccc5oc6ccccc6c(=O)c5c4)cc3)c12
InChIInChI=1S/C33H23NO2/c1-20-7-5-10-25-26-11-6-8-21(2)32(26)34(31(20)25)24-16-13-22(14-17-24)23-15-18-30-28(19-23)33(35)27-9-3-4-12-29(27)36-30/h3-19H,1-2H3
InChIKeyUMFHLCQYBVOVQN-UHFFFAOYSA-N
MW465.55 g/mol
LogP8.33
Rot. Bonds2

About 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one

2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one (PubChem CID 165377162) has the molecular formula C33H23NO2 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one.

Molecular Properties

Compound Name2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
PubChem CID165377162
Molecular FormulaC33H23NO2
Molecular Weight465.55 g/mol
Exact Mass465.17
IUPAC Name2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
SMILESCc1cccc2c3cccc(C)c3n(-c3ccc(-c4ccc5oc6ccccc6c(=O)c5c4)cc3)c12
InChIInChI=1S/C33H23NO2/c1-20-7-5-10-25-26-11-6-8-21(2)32(26)34(31(20)25)24-16-13-22(14-17-24)23-15-18-30-28(19-23)33(35)27-9-3-4-12-29(27)36-30/h3-19H,1-2H3
InChIKeyUMFHLCQYBVOVQN-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

6-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,3-diphenylxanthen-9-one
CID 165377171
2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377181
3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377193
3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one
CID 165377258
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
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
2-[4-(11-methyl-[1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]thioxanthen-9-one
CID 165377182
2-[3-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]phenyl]xanthen-9-one
CID 176758561
2-[3-[3-(13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]xanthen-9-one
CID 177106384
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
2-methyl-7-phenylxanthen-9-one
CID 123326805

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one?
The IUPAC name of 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one (CID 165377162) is 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one.
What is the SMILES notation for 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one?
The canonical SMILES for 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one is Cc1cccc2c3cccc(C)c3n(-c3ccc(-c4ccc5oc6ccccc6c(=O)c5c4)cc3)c12.
What is the InChIKey of 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one?
The InChIKey is UMFHLCQYBVOVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NO2/c1-20-7-5-10-25-26-11-6-8-21(2)32(26)34(31(20)25)24-16-13-22(14-17-24)23-15-18-30-28(19-23)33(35)27-9-3-4-12-29(27)36-30/h3-19H,1-2H3.
What are the key properties of 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one?
2-[4-(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 2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one is sourced from PubChem (CID 165377162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).