2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole

C50H33N3O — CID 146337573

IUPAC2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(C2=c3ccccc3=NC(c3cccc4oc5c(-n6c7cc(-c8ccccc8)ccc7c7ccc(-c8ccccc8)cc76)cccc5c34)N2)cc1
InChIInChI=1S/C50H33N3O/c1-4-14-32(15-5-1)35-26-28-37-38-29-27-36(33-16-6-2-7-17-33)31-45(38)53(44(37)30-35)43-24-12-21-40-47-41(22-13-25-46(47)54-49(40)43)50-51-42-23-11-10-20-39(42)48(52-50)34-18-8-3-9-19-34/h1-31,50,52H
InChIKeyYQJYBUQHRXFSMU-UHFFFAOYSA-N
MW691.83 g/mol
LogP11.10
Rot. Bonds5

About 2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole

2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole (PubChem CID 146337573) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is 2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
PubChem CID146337573
Molecular FormulaC50H33N3O
Molecular Weight691.83 g/mol
Exact Mass691.26
IUPAC Name2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(C2=c3ccccc3=NC(c3cccc4oc5c(-n6c7cc(-c8ccccc8)ccc7c7ccc(-c8ccccc8)cc76)cccc5c34)N2)cc1
InChIInChI=1S/C50H33N3O/c1-4-14-32(15-5-1)35-26-28-37-38-29-27-36(33-16-6-2-7-17-33)31-45(38)53(44(37)30-35)43-24-12-21-40-47-41(22-13-25-46(47)54-49(40)43)50-51-42-23-11-10-20-39(42)48(52-50)34-18-8-3-9-19-34/h1-31,50,52H
InChIKeyYQJYBUQHRXFSMU-UHFFFAOYSA-N
XLogP11.10
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 511.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337811
9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 166670429
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 146491418
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 146491297
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)-2-phenylcarbazole
CID 148764046
9-[9-(2-dibenzofuran-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole
CID 166961520
9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
CID 166961329
2,7-diphenyl-9-[9-(4-phenyl-2H-quinazolin-3-id-2-yl)dibenzofuran-3-yl]carbazole
CID 163563062
2-[3-(4-bromophenyl)phenyl]-9-dibenzofuran-4-ylcarbazole
CID 118505930

Frequently Asked Questions

What is the IUPAC name of 2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole (CID 146337573) is 2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole is c1ccc(C2=c3ccccc3=NC(c3cccc4oc5c(-n6c7cc(-c8ccccc8)ccc7c7ccc(-c8ccccc8)cc76)cccc5c34)N2)cc1.
What is the InChIKey of 2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is YQJYBUQHRXFSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-4-14-32(15-5-1)35-26-28-37-38-29-27-36(33-16-6-2-7-17-33)31-45(38)53(44(37)30-35)43-24-12-21-40-47-41(22-13-25-46(47)54-49(40)43)50-51-42-23-11-10-20-39(42)48(52-50)34-18-8-3-9-19-34/h1-31,50,52H.
What are the key properties of 2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole?
2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 691.83 g/mol, XLogP of 11.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 146337573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).