5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline

C219H130N16O7 — CID 157323747

IUPAC5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c5ccccc5nc5oc6ccccc6c45)c3cc21.c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6nc6oc7ccccc7c56)nc4c3n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6c7ccccc7nc7oc8ccccc8c67)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5c6ccccc6nc6oc7ccccc7c56)c4c32)cc1.c1ccc2c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c3c(nc2c1)oc1ccccc13.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4c5ccccc5nc5oc6ccccc6c45)cc3)nc12
InChIInChI=1S/C45H27N3O.C39H23N3O.C36H24N2O.2C33H19N3O.C33H18N2O2/c1-2-12-30(13-3-1)47-38-19-9-6-15-32(38)36-26-28(23-25-40(36)47)29-22-24-33-31-14-5-10-20-39(31)48(41(33)27-29)44-34-16-4-8-18-37(34)46-45-43(44)35-17-7-11-21-42(35)49-45;1-2-12-24(13-3-1)41-32-19-9-5-14-25(32)27-22-23-28-26-15-6-10-20-33(26)42(38(28)37(27)41)36-29-16-4-8-18-31(29)40-39-35(36)30-17-7-11-21-34(30)43-39;1-36(2)27-15-7-3-11-21(27)25-19-26-22-12-5-9-17-30(22)38(31(26)20-28(25)36)34-23-13-4-8-16-29(23)37-35-33(34)24-14-6-10-18-32(24)39-35;1-3-9-27-24(7-1)29(30-25-8-2-4-10-28(25)37-33(30)36-27)21-13-11-20(12-14-21)26-18-17-23-16-15-22-6-5-19-34-31(22)32(23)35-26;1-2-8-20(9-3-1)25-18-16-21-14-15-22-17-19-27(35-32(22)31(21)34-25)29-23-10-4-6-12-26(23)36-33-30(29)24-11-5-7-13-28(24)37-33;1-5-13-24-21(10-1)31(30-23-12-4-8-16-28(23)37-33(30)34-24)35-25-14-6-2-11-22(25)29-26(35)18-17-20-19-9-3-7-15-27(19)36-32(20)29/h1-27H;1-23H;3-20H,1-2H3;2*1-19H;1-18H
InChIKeyBELXLERSOYFUAK-UHFFFAOYSA-N
MW3097.55 g/mol
LogP58.12
Rot. Bonds11

About 5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline

5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline (PubChem CID 157323747) has the molecular formula C219H130N16O7 and a molecular weight of 3097.55 g/mol. Its IUPAC name is 5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline
PubChem CID157323747
Molecular FormulaC219H130N16O7
Molecular Weight3097.55 g/mol
Exact Mass3095.03
IUPAC Name5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c5ccccc5nc5oc6ccccc6c45)c3cc21.c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6nc6oc7ccccc7c56)nc4c3n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6c7ccccc7nc7oc8ccccc8c67)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5c6ccccc6nc6oc7ccccc7c56)c4c32)cc1.c1ccc2c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c3c(nc2c1)oc1ccccc13.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4c5ccccc5nc5oc6ccccc6c45)cc3)nc12
InChIInChI=1S/C45H27N3O.C39H23N3O.C36H24N2O.2C33H19N3O.C33H18N2O2/c1-2-12-30(13-3-1)47-38-19-9-6-15-32(38)36-26-28(23-25-40(36)47)29-22-24-33-31-14-5-10-20-39(31)48(41(33)27-29)44-34-16-4-8-18-37(34)46-45-43(44)35-17-7-11-21-42(35)49-45;1-2-12-24(13-3-1)41-32-19-9-5-14-25(32)27-22-23-28-26-15-6-10-20-33(26)42(38(28)37(27)41)36-29-16-4-8-18-31(29)40-39-35(36)30-17-7-11-21-34(30)43-39;1-36(2)27-15-7-3-11-21(27)25-19-26-22-12-5-9-17-30(22)38(31(26)20-28(25)36)34-23-13-4-8-16-29(23)37-35-33(34)24-14-6-10-18-32(24)39-35;1-3-9-27-24(7-1)29(30-25-8-2-4-10-28(25)37-33(30)36-27)21-13-11-20(12-14-21)26-18-17-23-16-15-22-6-5-19-34-31(22)32(23)35-26;1-2-8-20(9-3-1)25-18-16-21-14-15-22-17-19-27(35-32(22)31(21)34-25)29-23-10-4-6-12-26(23)36-33-30(29)24-11-5-7-13-28(24)37-33;1-5-13-24-21(10-1)31(30-23-12-4-8-16-28(23)37-33(30)34-24)35-25-14-6-2-11-22(25)29-26(35)18-17-20-19-9-3-7-15-27(19)36-32(20)29/h1-27H;1-23H;3-20H,1-2H3;2*1-19H;1-18H
InChIKeyBELXLERSOYFUAK-UHFFFAOYSA-N
XLogP58.12
TPSA250.46 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003097.55
LogP ≤ 558.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline (CID 157323747) is 5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c5ccccc5nc5oc6ccccc6c45)c3cc21.c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6nc6oc7ccccc7c56)nc4c3n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6c7ccccc7nc7oc8ccccc8c67)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5c6ccccc6nc6oc7ccccc7c56)c4c32)cc1.c1ccc2c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c3c(nc2c1)oc1ccccc13.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4c5ccccc5nc5oc6ccccc6c45)cc3)nc12.
What is the InChIKey of 5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline?
The InChIKey is BELXLERSOYFUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O.C39H23N3O.C36H24N2O.2C33H19N3O.C33H18N2O2/c1-2-12-30(13-3-1)47-38-19-9-6-15-32(38)36-26-28(23-25-40(36)47)29-22-24-33-31-14-5-10-20-39(31)48(41(33)27-29)44-34-16-4-8-18-37(34)46-45-43(44)35-17-7-11-21-42(35)49-45;1-2-12-24(13-3-1)41-32-19-9-5-14-25(32)27-22-23-28-26-15-6-10-20-33(26)42(38(28)37(27)41)36-29-16-4-8-18-31(29)40-39-35(36)30-17-7-11-21-34(30)43-39;1-36(2)27-15-7-3-11-21(27)25-19-26-22-12-5-9-17-30(22)38(31(26)20-28(25)36)34-23-13-4-8-16-29(23)37-35-33(34)24-14-6-10-18-32(24)39-35;1-3-9-27-24(7-1)29(30-25-8-2-4-10-28(25)37-33(30)36-27)21-13-11-20(12-14-21)26-18-17-23-16-15-22-6-5-19-34-31(22)32(23)35-26;1-2-8-20(9-3-1)25-18-16-21-14-15-22-17-19-27(35-32(22)31(21)34-25)29-23-10-4-6-12-26(23)36-33-30(29)24-11-5-7-13-28(24)37-33;1-5-13-24-21(10-1)31(30-23-12-4-8-16-28(23)37-33(30)34-24)35-25-14-6-2-11-22(25)29-26(35)18-17-20-19-9-3-7-15-27(19)36-32(20)29/h1-27H;1-23H;3-20H,1-2H3;2*1-19H;1-18H.
What are the key properties of 5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline?
5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline has a molecular weight of 3097.55 g/mol, XLogP of 58.12, 11 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1]benzofuro[2,3-b]quinolin-11-yl)-[1]benzofuro[3,2-c]carbazole;11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]quinoline;11-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-b]quinoline;11-(9-phenyl-1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 157323747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).