5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole

C144H88N10OS — CID 161482965

IUPAC5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc3c(-c4ccccc4)nc(-n4c5ccccc5c5cc6ccccc6cc54)nc3cc2-c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)nc(-n4c5ccccc5c5cc6ccccc6cc54)nc3cc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc23)cc1
InChIInChI=1S/C48H30N4.C48H29N3O.C48H29N3S/c1-3-13-31(14-4-1)47-39-25-23-35(34-24-26-45-40(28-34)37-19-9-11-21-43(37)51(45)36-17-5-2-6-18-36)29-42(39)49-48(50-47)52-44-22-12-10-20-38(44)41-27-32-15-7-8-16-33(32)30-46(41)52;2*1-3-14-30(15-4-1)38-28-41-42(29-39(38)37-23-13-22-36-35-21-10-12-25-45(35)52-47(36)37)49-48(50-46(41)31-16-5-2-6-17-31)51-43-24-11-9-20-34(43)40-26-32-18-7-8-19-33(32)27-44(40)51/h1-30H;2*1-29H
InChIKeyWEPKPLZCIMFKBX-UHFFFAOYSA-N
MW2006.42 g/mol
LogP38.34
Rot. Bonds12

About 5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole

5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 161482965) has the molecular formula C144H88N10OS and a molecular weight of 2006.42 g/mol. Its IUPAC name is 5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole
PubChem CID161482965
Molecular FormulaC144H88N10OS
Molecular Weight2006.42 g/mol
Exact Mass2004.69
IUPAC Name5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc3c(-c4ccccc4)nc(-n4c5ccccc5c5cc6ccccc6cc54)nc3cc2-c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)nc(-n4c5ccccc5c5cc6ccccc6cc54)nc3cc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc23)cc1
InChIInChI=1S/C48H30N4.C48H29N3O.C48H29N3S/c1-3-13-31(14-4-1)47-39-25-23-35(34-24-26-45-40(28-34)37-19-9-11-21-43(37)51(45)36-17-5-2-6-18-36)29-42(39)49-48(50-47)52-44-22-12-10-20-38(44)41-27-32-15-7-8-16-33(32)30-46(41)52;2*1-3-14-30(15-4-1)38-28-41-42(29-39(38)37-23-13-22-36-35-21-10-12-25-45(35)52-47(36)37)49-48(50-46(41)31-16-5-2-6-17-31)51-43-24-11-9-20-34(43)40-26-32-18-7-8-19-33(32)27-44(40)51/h1-30H;2*1-29H
InChIKeyWEPKPLZCIMFKBX-UHFFFAOYSA-N
XLogP38.34
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002006.42
LogP ≤ 538.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole (CID 161482965) is 5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole is c1ccc(-c2cc3c(-c4ccccc4)nc(-n4c5ccccc5c5cc6ccccc6cc54)nc3cc2-c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2cc3c(-c4ccccc4)nc(-n4c5ccccc5c5cc6ccccc6cc54)nc3cc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc23)cc1.
What is the InChIKey of 5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole?
The InChIKey is WEPKPLZCIMFKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4.C48H29N3O.C48H29N3S/c1-3-13-31(14-4-1)47-39-25-23-35(34-24-26-45-40(28-34)37-19-9-11-21-43(37)51(45)36-17-5-2-6-18-36)29-42(39)49-48(50-47)52-44-22-12-10-20-38(44)41-27-32-15-7-8-16-33(32)30-46(41)52;2*1-3-14-30(15-4-1)38-28-41-42(29-39(38)37-23-13-22-36-35-21-10-12-25-45(35)52-47(36)37)49-48(50-46(41)31-16-5-2-6-17-31)51-43-24-11-9-20-34(43)40-26-32-18-7-8-19-33(32)27-44(40)51/h1-30H;2*1-29H.
What are the key properties of 5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole?
5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole has a molecular weight of 2006.42 g/mol, XLogP of 38.34, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 161482965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).