1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole

C50H31N3O — CID 142569509

IUPAC1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C50H31N3O/c1-3-14-32(15-4-1)37-29-42(36-19-13-18-34(28-36)35-26-27-40-39-21-9-12-25-46(39)54-47(40)31-35)49-43(30-37)38-20-8-11-24-45(38)53(49)50-51-44-23-10-7-22-41(44)48(52-50)33-16-5-2-6-17-33/h1-31H
InChIKeyTUKKGWAXBLFPER-UHFFFAOYSA-N
MW689.82 g/mol
LogP13.29
Rot. Bonds5

About 1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole

1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 142569509) has the molecular formula C50H31N3O and a molecular weight of 689.82 g/mol. Its IUPAC name is 1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID142569509
Molecular FormulaC50H31N3O
Molecular Weight689.82 g/mol
Exact Mass689.25
IUPAC Name1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C50H31N3O/c1-3-14-32(15-4-1)37-29-42(36-19-13-18-34(28-36)35-26-27-40-39-21-9-12-25-46(39)54-47(40)31-35)49-43(30-37)38-20-8-11-24-45(38)53(49)50-51-44-23-10-7-22-41(44)48(52-50)33-16-5-2-6-17-33/h1-31H
InChIKeyTUKKGWAXBLFPER-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

6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568797
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164821915
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146215678
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
CID 167309895
5-[3-(9-phenylcarbazol-3-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-[4-(9-phenylcarbazol-3-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;6-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 159057836
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
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
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
21-dibenzofuran-3-yl-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335501
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449

Frequently Asked Questions

What is the IUPAC name of 1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole (CID 142569509) is 1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole is c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is TUKKGWAXBLFPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O/c1-3-14-32(15-4-1)37-29-42(36-19-13-18-34(28-36)35-26-27-40-39-21-9-12-25-46(39)54-47(40)31-35)49-43(30-37)38-20-8-11-24-45(38)53(49)50-51-44-23-10-7-22-41(44)48(52-50)33-16-5-2-6-17-33/h1-31H.
What are the key properties of 1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-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 1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 142569509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).