5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole

C42H25N3O — CID 157187423

IUPAC5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4cccc5c4oc4ccccc45)ccc23)c([2H])c1[2H]
InChIInChI=1S/C42H25N3O/c1-2-11-26(12-3-1)40-34-22-21-29(30-17-10-18-33-32-16-7-9-20-39(32)46-41(30)33)24-36(34)43-42(44-40)45-37-19-8-6-15-31(37)35-23-27-13-4-5-14-28(27)25-38(35)45/h1-25H/i1D,2D,3D,11D,12D
InChIKeyIOEFCVQTTWKANB-QJJXXHCMSA-N
MW592.71 g/mol
LogP11.11
Rot. Bonds3

About 5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole

5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 157187423) has the molecular formula C42H25N3O and a molecular weight of 592.71 g/mol. Its IUPAC name is 5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole
PubChem CID157187423
Molecular FormulaC42H25N3O
Molecular Weight592.71 g/mol
Exact Mass592.23
IUPAC Name5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4cccc5c4oc4ccccc45)ccc23)c([2H])c1[2H]
InChIInChI=1S/C42H25N3O/c1-2-11-26(12-3-1)40-34-22-21-29(30-17-10-18-33-32-16-7-9-20-39(32)46-41(30)33)24-36(34)43-42(44-40)45-37-19-8-6-15-31(37)35-23-27-13-4-5-14-28(27)25-38(35)45/h1-25H/i1D,2D,3D,11D,12D
InChIKeyIOEFCVQTTWKANB-QJJXXHCMSA-N
XLogP11.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.71
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole
CID 139361732
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 168770056
4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570275
9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole
CID 146374848
4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
CID 142569467
5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole
CID 161482965
16-[4-(2,3,4,5,6-pentadeuteriophenyl)benzo[h]quinazolin-2-yl]-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 140905591
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
1,2,3,4-tetradeuterio-9-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113541

Frequently Asked Questions

What is the IUPAC name of 5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole (CID 157187423) is 5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4cccc5c4oc4ccccc45)ccc23)c([2H])c1[2H].
What is the InChIKey of 5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole?
The InChIKey is IOEFCVQTTWKANB-QJJXXHCMSA-N. The full InChI is InChI=1S/C42H25N3O/c1-2-11-26(12-3-1)40-34-22-21-29(30-17-10-18-33-32-16-7-9-20-39(32)46-41(30)33)24-36(34)43-42(44-40)45-37-19-8-6-15-31(37)35-23-27-13-4-5-14-28(27)25-38(35)45/h1-25H/i1D,2D,3D,11D,12D.
What are the key properties of 5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole?
5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole has a molecular weight of 592.71 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 157187423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).