2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole

C50H31N3O — CID 90129211

IUPAC2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6ccc(-c7ccc8oc9ccccc9c8c7)cc65)nc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H31N3O/c1-2-10-32(11-3-1)33-18-20-34(21-19-33)35-22-24-36(25-23-35)49-42-14-4-7-15-44(42)51-50(52-49)53-45-16-8-5-12-39(45)40-28-26-38(31-46(40)53)37-27-29-48-43(30-37)41-13-6-9-17-47(41)54-48/h1-31H
InChIKeyMRGHWYLBVKDGER-UHFFFAOYSA-N
MW689.82 g/mol
LogP13.29
Rot. Bonds5

About 2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole

2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole (PubChem CID 90129211) has the molecular formula C50H31N3O and a molecular weight of 689.82 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
PubChem CID90129211
Molecular FormulaC50H31N3O
Molecular Weight689.82 g/mol
Exact Mass689.25
IUPAC Name2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6ccc(-c7ccc8oc9ccccc9c8c7)cc65)nc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H31N3O/c1-2-10-32(11-3-1)33-18-20-34(21-19-33)35-22-24-36(25-23-35)49-42-14-4-7-15-44(42)51-50(52-49)53-45-16-8-5-12-39(45)40-28-26-38(31-46(40)53)37-27-29-48-43(30-37)41-13-6-9-17-47(41)54-48/h1-31H
InChIKeyMRGHWYLBVKDGER-UHFFFAOYSA-N
XLogP13.29
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
CID 118067224
1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142569509
9-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163606891
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3,5-diphenylphenyl)carbazole
CID 135144062
3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]quinazolin-2-yl]carbazole
CID 126632410
2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 134237440
15-phenyl-19-(4-phenylquinazolin-2-yl)-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 129142011
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
10-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517569
15-phenyl-11-(4-phenylquinazolin-2-yl)-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 129141891

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole?
The IUPAC name of 2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole (CID 90129211) is 2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole?
The canonical SMILES for 2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole is c1ccc(-c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6ccc(-c7ccc8oc9ccccc9c8c7)cc65)nc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole?
The InChIKey is MRGHWYLBVKDGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O/c1-2-10-32(11-3-1)33-18-20-34(21-19-33)35-22-24-36(25-23-35)49-42-14-4-7-15-44(42)51-50(52-49)53-45-16-8-5-12-39(45)40-28-26-38(31-46(40)53)37-27-29-48-43(30-37)41-13-6-9-17-47(41)54-48/h1-31H.
What are the key properties of 2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole?
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole has a molecular weight of 689.82 g/mol, XLogP of 13.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole is sourced from PubChem (CID 90129211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).