5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole

C41H29N3O — CID 146181652

IUPAC5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole
SMILESCC1(C)C2=C(NC(n3c4ccccc4c4cc5ccccc5cc43)=NC2c2cccc3c2oc2ccccc23)c2ccccc21
InChIInChI=1S/C41H29N3O/c1-41(2)32-19-8-5-16-29(32)37-36(41)38(30-18-11-17-28-27-15-7-10-21-35(27)45-39(28)30)43-40(42-37)44-33-20-9-6-14-26(33)31-22-24-12-3-4-13-25(24)23-34(31)44/h3-23,38H,1-2H3,(H,42,43)
InChIKeyDFDCIRKHPOAFRZ-UHFFFAOYSA-N
MW579.70 g/mol
LogP10.10
Rot. Bonds1

About 5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole

5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole (PubChem CID 146181652) has the molecular formula C41H29N3O and a molecular weight of 579.70 g/mol. Its IUPAC name is 5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole
PubChem CID146181652
Molecular FormulaC41H29N3O
Molecular Weight579.70 g/mol
Exact Mass579.23
IUPAC Name5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole
SMILESCC1(C)C2=C(NC(n3c4ccccc4c4cc5ccccc5cc43)=NC2c2cccc3c2oc2ccccc23)c2ccccc21
InChIInChI=1S/C41H29N3O/c1-41(2)32-19-8-5-16-29(32)37-36(41)38(30-18-11-17-28-27-15-7-10-21-35(27)45-39(28)30)43-40(42-37)44-33-20-9-6-14-26(33)31-22-24-12-3-4-13-25(24)23-34(31)44/h3-23,38H,1-2H3,(H,42,43)
InChIKeyDFDCIRKHPOAFRZ-UHFFFAOYSA-N
XLogP10.10
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 510.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166915553
5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole
CID 137433456
2-benzo[b]carbazol-5-yl-4-(4-phenylphenyl)-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
CID 166945382
5-[4-[2,6-di(anthracen-9-yl)-1,4-dihydro-1,3,5-triazin-4-yl]-2-dibenzofuran-4-ylphenyl]benzo[b]carbazole
CID 155475009
2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine
CID 137433804
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043577
3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine
CID 146391578
5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155037887
5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155475017
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166700827
5-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 169014938

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole (CID 146181652) is 5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole is CC1(C)C2=C(NC(n3c4ccccc4c4cc5ccccc5cc43)=NC2c2cccc3c2oc2ccccc23)c2ccccc21.
What is the InChIKey of 5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole?
The InChIKey is DFDCIRKHPOAFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O/c1-41(2)32-19-8-5-16-29(32)37-36(41)38(30-18-11-17-28-27-15-7-10-21-35(27)45-39(28)30)43-40(42-37)44-33-20-9-6-14-26(33)31-22-24-12-3-4-13-25(24)23-34(31)44/h3-23,38H,1-2H3,(H,42,43).
What are the key properties of 5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole?
5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole has a molecular weight of 579.70 g/mol, XLogP of 10.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146181652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).