8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one

C32H21NO2 — CID 145049959

IUPAC8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
SMILESCc1ccc2c(c1)c(=O)oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc12
InChIInChI=1S/C32H21NO2/c1-20-11-14-24-26-15-12-22(19-31(26)35-32(34)28(24)17-20)21-13-16-30-27(18-21)25-9-5-6-10-29(25)33(30)23-7-3-2-4-8-23/h2-19H,1H3
InChIKeyAUDYLVICOWXATB-UHFFFAOYSA-N
MW451.53 g/mol
LogP8.02
Rot. Bonds2

About 8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one

8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one (PubChem CID 145049959) has the molecular formula C32H21NO2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
PubChem CID145049959
Molecular FormulaC32H21NO2
Molecular Weight451.53 g/mol
Exact Mass451.16
IUPAC Name8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
SMILESCc1ccc2c(c1)c(=O)oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc12
InChIInChI=1S/C32H21NO2/c1-20-11-14-24-26-15-12-22(19-31(26)35-32(34)28(24)17-20)21-13-16-30-27(18-21)25-9-5-6-10-29(25)33(30)23-7-3-2-4-8-23/h2-19H,1H3
InChIKeyAUDYLVICOWXATB-UHFFFAOYSA-N
XLogP8.02
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-(4-carbazol-9-ylphenyl)benzo[c]chromen-6-one;8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzo[c]chromen-6-one
CID 158033258
8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one
CID 121242474
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554
10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one
CID 118248537
10-hydroxy-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one
CID 121242368
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
3-dibenzofuran-3-yl-9-(3-methylphenyl)carbazole
CID 170131130
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 118330173
2-methyl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223454
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one?
The IUPAC name of 8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one (CID 145049959) is 8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one.
What is the SMILES notation for 8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one?
The canonical SMILES for 8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one is Cc1ccc2c(c1)c(=O)oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc12.
What is the InChIKey of 8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one?
The InChIKey is AUDYLVICOWXATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO2/c1-20-11-14-24-26-15-12-22(19-31(26)35-32(34)28(24)17-20)21-13-16-30-27(18-21)25-9-5-6-10-29(25)33(30)23-7-3-2-4-8-23/h2-19H,1H3.
What are the key properties of 8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one?
8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one has a molecular weight of 451.53 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(9-phenylcarbazol-3-yl)benzo[c]chromen-6-one is sourced from PubChem (CID 145049959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).