3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one

C35H27NO2 — CID 165377258

IUPAC3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one
SMILESCc1ccc2oc3cc(-c4ccc(-n5c6c(C)cccc6c6cccc(C)c65)cc4)c(C)cc3c(=O)c2c1
InChIInChI=1S/C35H27NO2/c1-20-11-16-31-29(17-20)35(37)30-18-23(4)28(19-32(30)38-31)24-12-14-25(15-13-24)36-33-21(2)7-5-9-26(33)27-10-6-8-22(3)34(27)36/h5-19H,1-4H3
InChIKeyOVMIRKDQMSCCLT-UHFFFAOYSA-N
MW493.61 g/mol
LogP8.94
Rot. Bonds2

About 3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one

3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one (PubChem CID 165377258) has the molecular formula C35H27NO2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one.

Molecular Properties

Compound Name3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one
PubChem CID165377258
Molecular FormulaC35H27NO2
Molecular Weight493.61 g/mol
Exact Mass493.20
IUPAC Name3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one
SMILESCc1ccc2oc3cc(-c4ccc(-n5c6c(C)cccc6c6cccc(C)c65)cc4)c(C)cc3c(=O)c2c1
InChIInChI=1S/C35H27NO2/c1-20-11-16-31-29(17-20)35(37)30-18-23(4)28(19-32(30)38-31)24-12-14-25(15-13-24)36-33-21(2)7-5-9-26(33)27-10-6-8-22(3)34(27)36/h5-19H,1-4H3
InChIKeyOVMIRKDQMSCCLT-UHFFFAOYSA-N
XLogP8.94
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 58.94
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
3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377193
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-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377181
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1,8-dimethylcarbazole;9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3,6-dimethylcarbazole;9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-methylcarbazole;9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole;9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-phenylcarbazole;3,6-ditert-butyl-9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazole
CID 163676016
2-methyl-7-phenylxanthen-9-one
CID 123326805
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3,6-dimethylcarbazole
CID 163433244
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-1,8-dimethylcarbazole;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-3,6-dimethylcarbazole;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-1-methylcarbazole;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-1-phenylcarbazole;[9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane;3,6-ditert-butyl-9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163955307
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-1-methylcarbazole
CID 163908645
1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran
CID 175613523

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one?
The IUPAC name of 3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one (CID 165377258) is 3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one.
What is the SMILES notation for 3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one?
The canonical SMILES for 3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one is Cc1ccc2oc3cc(-c4ccc(-n5c6c(C)cccc6c6cccc(C)c65)cc4)c(C)cc3c(=O)c2c1.
What is the InChIKey of 3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one?
The InChIKey is OVMIRKDQMSCCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27NO2/c1-20-11-16-31-29(17-20)35(37)30-18-23(4)28(19-32(30)38-31)24-12-14-25(15-13-24)36-33-21(2)7-5-9-26(33)27-10-6-8-22(3)34(27)36/h5-19H,1-4H3.
What are the key properties of 3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one?
3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one has a molecular weight of 493.61 g/mol, XLogP of 8.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one is sourced from PubChem (CID 165377258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).