9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole

C48H28N4O — CID 146374848

IUPAC9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc2c(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4cc5cc(-n6c7ccccc7c7ccccc76)ccc5cc43)nc2c1
InChIInChI=1S/C48H28N4O/c1-6-19-40-37(16-1)46(38-18-11-17-36-35-15-5-10-23-45(35)53-47(36)38)50-48(49-40)52-43-22-9-4-14-34(43)39-27-30-26-31(25-24-29(30)28-44(39)52)51-41-20-7-2-12-32(41)33-13-3-8-21-42(33)51/h1-28H
InChIKeyQSHCEAXENKOTBG-UHFFFAOYSA-N
MW676.78 g/mol
LogP12.54
Rot. Bonds3

About 9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole

9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 146374848) has the molecular formula C48H28N4O and a molecular weight of 676.78 g/mol. Its IUPAC name is 9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole
PubChem CID146374848
Molecular FormulaC48H28N4O
Molecular Weight676.78 g/mol
Exact Mass676.23
IUPAC Name9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc2c(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4cc5cc(-n6c7ccccc7c7ccccc76)ccc5cc43)nc2c1
InChIInChI=1S/C48H28N4O/c1-6-19-40-37(16-1)46(38-18-11-17-36-35-15-5-10-23-45(35)53-47(36)38)50-48(49-40)52-43-22-9-4-14-34(43)39-27-30-26-31(25-24-29(30)28-44(39)52)51-41-20-7-2-12-32(41)33-13-3-8-21-42(33)51/h1-28H
InChIKeyQSHCEAXENKOTBG-UHFFFAOYSA-N
XLogP12.54
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.78
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzo[c]carbazol-7-yl-7-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[c]carbazol-7-yl-7-(3-dibenzofuran-4-ylquinoxalin-2-yl)benzo[c]carbazole;9-carbazol-9-yl-7-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[c]carbazole;9-carbazol-9-yl-7-(3-dibenzofuran-4-ylquinoxalin-2-yl)benzo[c]carbazole
CID 163669250
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
12-[6-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139362069
5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole
CID 139361732
4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
12-(4-naphtho[1,2-b][1]benzofuran-10-ylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 156564433
3-dibenzofuran-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 158611861
19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene
CID 155335645
7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 123298725
5-[7-dibenzofuran-4-yl-4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole
CID 157187423
4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570275
9-carbazol-9-yl-5-[7-(2-dibenzofuran-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375561

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole (CID 146374848) is 9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole is c1ccc2c(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4cc5cc(-n6c7ccccc7c7ccccc76)ccc5cc43)nc2c1.
What is the InChIKey of 9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is QSHCEAXENKOTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O/c1-6-19-40-37(16-1)46(38-18-11-17-36-35-15-5-10-23-45(35)53-47(36)38)50-48(49-40)52-43-22-9-4-14-34(43)39-27-30-26-31(25-24-29(30)28-44(39)52)51-41-20-7-2-12-32(41)33-13-3-8-21-42(33)51/h1-28H.
What are the key properties of 9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole?
9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 676.78 g/mol, XLogP of 12.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146374848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).