9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole

C44H27N3O — CID 134594831

IUPAC9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)c3ccccc3n2)cc1
InChIInChI=1S/C44H27N3O/c1-3-12-28(13-4-1)44-45-37-19-9-7-17-33(37)43(46-44)34-18-11-21-41-42(34)36-27-30(23-25-40(36)48-41)29-22-24-39-35(26-29)32-16-8-10-20-38(32)47(39)31-14-5-2-6-15-31/h1-27H
InChIKeyAGBUPALALDQQCY-UHFFFAOYSA-N
MW613.72 g/mol
LogP11.63
Rot. Bonds4

About 9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole

9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole (PubChem CID 134594831) has the molecular formula C44H27N3O and a molecular weight of 613.72 g/mol. Its IUPAC name is 9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
PubChem CID134594831
Molecular FormulaC44H27N3O
Molecular Weight613.72 g/mol
Exact Mass613.22
IUPAC Name9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)c3ccccc3n2)cc1
InChIInChI=1S/C44H27N3O/c1-3-12-28(13-4-1)44-45-37-19-9-7-17-33(37)43(46-44)34-18-11-21-41-42(34)36-27-30(23-25-40(36)48-41)29-22-24-39-35(26-29)32-16-8-10-20-38(32)47(39)31-14-5-2-6-15-31/h1-27H
InChIKeyAGBUPALALDQQCY-UHFFFAOYSA-N
XLogP11.63
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;2,7-diphenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;3,6-diphenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole
CID 158774380
2,6-diphenyl-4-[8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 170529246
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
3-[2-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602257
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
2-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 168826463
3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292083
2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475085
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282
3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768529

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole (CID 134594831) is 9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole is c1ccc(-c2nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)c3ccccc3n2)cc1.
What is the InChIKey of 9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole?
The InChIKey is AGBUPALALDQQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O/c1-3-12-28(13-4-1)44-45-37-19-9-7-17-33(37)43(46-44)34-18-11-21-41-42(34)36-27-30(23-25-40(36)48-41)29-22-24-39-35(26-29)32-16-8-10-20-38(32)47(39)31-14-5-2-6-15-31/h1-27H.
What are the key properties of 9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole?
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole has a molecular weight of 613.72 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 134594831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).