6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole

C60H36N6O — CID 138617947

IUPAC6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6cccc7oc8ccccc8c67)c6ccccc6n5)ccc4n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C60H36N6O/c1-4-17-37(18-5-1)56-55-47-36-40(32-34-51(47)65(41-21-8-3-9-22-41)59(55)64-58(62-56)38-19-6-2-7-20-38)39-31-33-50-46(35-39)42-23-11-14-28-49(42)66(50)60-61-48-27-13-10-24-43(48)57(63-60)45-26-16-30-53-54(45)44-25-12-15-29-52(44)67-53/h1-36H
InChIKeyQMIJROVEBUVCPN-UHFFFAOYSA-N
MW856.99 g/mol
LogP15.18
Rot. Bonds6

About 6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole

6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole (PubChem CID 138617947) has the molecular formula C60H36N6O and a molecular weight of 856.99 g/mol. Its IUPAC name is 6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole.

Molecular Properties

Compound Name6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
PubChem CID138617947
Molecular FormulaC60H36N6O
Molecular Weight856.99 g/mol
Exact Mass856.30
IUPAC Name6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6cccc7oc8ccccc8c67)c6ccccc6n5)ccc4n(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C60H36N6O/c1-4-17-37(18-5-1)56-55-47-36-40(32-34-51(47)65(41-21-8-3-9-22-41)59(55)64-58(62-56)38-19-6-2-7-20-38)39-31-33-50-46(35-39)42-23-11-14-28-49(42)66(50)60-61-48-27-13-10-24-43(48)57(63-60)45-26-16-30-53-54(45)44-25-12-15-29-52(44)67-53/h1-36H
InChIKeyQMIJROVEBUVCPN-UHFFFAOYSA-N
XLogP15.18
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.99
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
CID 158901392
4-(3-dibenzofuran-4-ylphenyl)-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrimido[4,5-b]indole
CID 154010794
2,4-bis(4-carbazol-9-ylphenyl)-6,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-6-dibenzofuran-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(4-carbazol-9-ylphenyl)-4,6,9-triphenylpyrimido[4,5-b]indole
CID 158145179
3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 155485509
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
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
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
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
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylcarbazole;2-dibenzofuran-1-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole;2-dibenzofuran-1-yl-9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 159951134

Frequently Asked Questions

What is the IUPAC name of 6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole?
The IUPAC name of 6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole (CID 138617947) is 6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole.
What is the SMILES notation for 6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole?
The canonical SMILES for 6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole is c1ccc(-c2nc(-c3ccccc3)c3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6cccc7oc8ccccc8c67)c6ccccc6n5)ccc4n(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole?
The InChIKey is QMIJROVEBUVCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6O/c1-4-17-37(18-5-1)56-55-47-36-40(32-34-51(47)65(41-21-8-3-9-22-41)59(55)64-58(62-56)38-19-6-2-7-20-38)39-31-33-50-46(35-39)42-23-11-14-28-49(42)66(50)60-61-48-27-13-10-24-43(48)57(63-60)45-26-16-30-53-54(45)44-25-12-15-29-52(44)67-53/h1-36H.
What are the key properties of 6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole?
6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole has a molecular weight of 856.99 g/mol, XLogP of 15.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole is sourced from PubChem (CID 138617947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).