3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole

C50H29N3O2 — CID 145159176

IUPAC3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5nc(-c6cccc7oc8ccccc8c67)nc(-c6cccc7c6oc6ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/C50H29N3O2/c1-2-12-32(13-3-1)53-42-20-7-4-14-33(42)39-28-31(25-27-43(39)53)30-24-26-41-40(29-30)48(38-19-10-17-35-34-15-5-8-21-44(34)55-49(35)38)52-50(51-41)37-18-11-23-46-47(37)36-16-6-9-22-45(36)54-46/h1-29H
InChIKeyADUYNYROKJVSMW-UHFFFAOYSA-N
MW703.80 g/mol
LogP13.53
Rot. Bonds4

About 3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole

3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole (PubChem CID 145159176) has the molecular formula C50H29N3O2 and a molecular weight of 703.80 g/mol. Its IUPAC name is 3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole
PubChem CID145159176
Molecular FormulaC50H29N3O2
Molecular Weight703.80 g/mol
Exact Mass703.23
IUPAC Name3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5nc(-c6cccc7oc8ccccc8c67)nc(-c6cccc7c6oc6ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/C50H29N3O2/c1-2-12-32(13-3-1)53-42-20-7-4-14-33(42)39-28-31(25-27-43(39)53)30-24-26-41-40(29-30)48(38-19-10-17-35-34-15-5-8-21-44(34)55-49(35)38)52-50(51-41)37-18-11-23-46-47(37)36-16-6-9-22-45(36)54-46/h1-29H
InChIKeyADUYNYROKJVSMW-UHFFFAOYSA-N
XLogP13.53
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.80
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159061
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 146300876
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 159582452
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158642416
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534453
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 164983818
4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163421950
9-phenyl-3-[9-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 168768735
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361

Frequently Asked Questions

What is the IUPAC name of 3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole?
The IUPAC name of 3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole (CID 145159176) is 3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5nc(-c6cccc7oc8ccccc8c67)nc(-c6cccc7c6oc6ccccc67)c5c4)ccc32)cc1.
What is the InChIKey of 3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole?
The InChIKey is ADUYNYROKJVSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N3O2/c1-2-12-32(13-3-1)53-42-20-7-4-14-33(42)39-28-31(25-27-43(39)53)30-24-26-41-40(29-30)48(38-19-10-17-35-34-15-5-8-21-44(34)55-49(35)38)52-50(51-41)37-18-11-23-46-47(37)36-16-6-9-22-45(36)54-46/h1-29H.
What are the key properties of 3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole?
3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole has a molecular weight of 703.80 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole is sourced from PubChem (CID 145159176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).