6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline

C138H80N12O2S — CID 162160682

IUPAC6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)ccc1c2c2cc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12.c1ccc2c(c1)ccc1c2c2cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12.c1ccc2c(c1)ccc1c2c2cc(-c3ccc4c(c3)oc3ccccc34)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C48H28N4O.C48H28N4S.C42H24N4O/c2*1-2-10-34-31(9-1)22-26-43-46(34)38-27-32(29-17-19-30(20-18-29)33-21-24-36-35-11-4-8-16-44(35)53-45(36)28-33)23-25-41(38)51(43)48-50-39-13-5-3-12-37(39)47-49-40-14-6-7-15-42(40)52(47)48;1-2-10-28-25(9-1)18-22-37-40(28)32-23-26(27-17-20-30-29-11-4-8-16-38(29)47-39(30)24-27)19-21-35(32)45(37)42-44-33-13-5-3-12-31(33)41-43-34-14-6-7-15-36(34)46(41)42/h2*1-28H;1-24H
InChIKeyZMKYJULLDLIJNV-UHFFFAOYSA-N
MW1970.31 g/mol
LogP36.36
Rot. Bonds8

About 6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline

6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 162160682) has the molecular formula C138H80N12O2S and a molecular weight of 1970.31 g/mol. Its IUPAC name is 6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID162160682
Molecular FormulaC138H80N12O2S
Molecular Weight1970.31 g/mol
Exact Mass1968.62
IUPAC Name6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)ccc1c2c2cc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12.c1ccc2c(c1)ccc1c2c2cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12.c1ccc2c(c1)ccc1c2c2cc(-c3ccc4c(c3)oc3ccccc34)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C48H28N4O.C48H28N4S.C42H24N4O/c2*1-2-10-34-31(9-1)22-26-43-46(34)38-27-32(29-17-19-30(20-18-29)33-21-24-36-35-11-4-8-16-44(35)53-45(36)28-33)23-25-41(38)51(43)48-50-39-13-5-3-12-37(39)47-49-40-14-6-7-15-42(40)52(47)48;1-2-10-28-25(9-1)18-22-37-40(28)32-23-26(27-17-20-30-29-11-4-8-16-38(29)47-39(30)24-27)19-21-35(32)45(37)42-44-33-13-5-3-12-31(33)41-43-34-14-6-7-15-36(34)46(41)42/h2*1-28H;1-24H
InChIKeyZMKYJULLDLIJNV-UHFFFAOYSA-N
XLogP36.36
TPSA131.64 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001970.31
LogP ≤ 536.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline (CID 162160682) is 6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline is c1ccc2c(c1)ccc1c2c2cc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12.c1ccc2c(c1)ccc1c2c2cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12.c1ccc2c(c1)ccc1c2c2cc(-c3ccc4c(c3)oc3ccccc34)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12.
What is the InChIKey of 6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is ZMKYJULLDLIJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O.C48H28N4S.C42H24N4O/c2*1-2-10-34-31(9-1)22-26-43-46(34)38-27-32(29-17-19-30(20-18-29)33-21-24-36-35-11-4-8-16-44(35)53-45(36)28-33)23-25-41(38)51(43)48-50-39-13-5-3-12-37(39)47-49-40-14-6-7-15-42(40)52(47)48;1-2-10-28-25(9-1)18-22-37-40(28)32-23-26(27-17-20-30-29-11-4-8-16-38(29)47-39(30)24-27)19-21-35(32)45(37)42-44-33-13-5-3-12-31(33)41-43-34-14-6-7-15-36(34)46(41)42/h2*1-28H;1-24H.
What are the key properties of 6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?
6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 1970.31 g/mol, XLogP of 36.36, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 162160682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).