11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline

C152H93N11O4 — CID 159434078

IUPAC11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline
SMILESCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3nc3oc4ccccc4c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4c5ccccc5nc5oc6ccccc6c45)ccc23)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6c7ccccc7nc7oc8ccccc8c67)c5)c4)n3)cc2)cc1.c1ccc2c(-c3ccc4c(c3)c3ccccc3c3nc5ccccc5n43)c3c(nc2c1)oc1ccccc13
InChIInChI=1S/C48H30N4O.C41H25NO.C34H19N3O.C29H19N3O/c1-3-13-31(14-4-1)32-25-27-34(28-26-32)46-50-45(33-15-5-2-6-16-33)51-47(52-46)38-20-12-18-36(30-38)35-17-11-19-37(29-35)43-39-21-7-9-23-41(39)49-48-44(43)40-22-8-10-24-42(40)53-48;1-3-13-26(14-4-1)37-29-17-7-8-18-30(29)38(27-15-5-2-6-16-27)34-25-28(23-24-31(34)37)39-32-19-9-11-21-35(32)42-41-40(39)33-20-10-12-22-36(33)43-41;1-2-10-22-21(9-1)25-19-20(17-18-28(25)37-29-15-7-6-14-27(29)35-33(22)37)31-23-11-3-5-13-26(23)36-34-32(31)24-12-4-8-16-30(24)38-34;1-18-30-24-11-5-6-12-25(24)32(18)20-16-14-19(15-17-20)27-21-8-2-4-10-23(21)31-29-28(27)22-9-3-7-13-26(22)33-29/h1-30H;1-25H;1-19H;2-17H,1H3
InChIKeyLRIRLVNDUOAMRZ-UHFFFAOYSA-N
MW2137.49 g/mol
LogP40.12
Rot. Bonds12

About 11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline

11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline (PubChem CID 159434078) has the molecular formula C152H93N11O4 and a molecular weight of 2137.49 g/mol. Its IUPAC name is 11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline
PubChem CID159434078
Molecular FormulaC152H93N11O4
Molecular Weight2137.49 g/mol
Exact Mass2135.74
IUPAC Name11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline
SMILESCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3nc3oc4ccccc4c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4c5ccccc5nc5oc6ccccc6c45)ccc23)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6c7ccccc7nc7oc8ccccc8c67)c5)c4)n3)cc2)cc1.c1ccc2c(-c3ccc4c(c3)c3ccccc3c3nc5ccccc5n43)c3c(nc2c1)oc1ccccc13
InChIInChI=1S/C48H30N4O.C41H25NO.C34H19N3O.C29H19N3O/c1-3-13-31(14-4-1)32-25-27-34(28-26-32)46-50-45(33-15-5-2-6-16-33)51-47(52-46)38-20-12-18-36(30-38)35-17-11-19-37(29-35)43-39-21-7-9-23-41(39)49-48-44(43)40-22-8-10-24-42(40)53-48;1-3-13-26(14-4-1)37-29-17-7-8-18-30(29)38(27-15-5-2-6-16-27)34-25-28(23-24-31(34)37)39-32-19-9-11-21-35(32)42-41-40(39)33-20-10-12-22-36(33)43-41;1-2-10-22-21(9-1)25-19-20(17-18-28(25)37-29-15-7-6-14-27(29)35-33(22)37)31-23-11-3-5-13-26(23)36-34-32(31)24-12-4-8-16-30(24)38-34;1-18-30-24-11-5-6-12-25(24)32(18)20-16-14-19(15-17-20)27-21-8-2-4-10-23(21)31-29-28(27)22-9-3-7-13-26(22)33-29/h1-30H;1-25H;1-19H;2-17H,1H3
InChIKeyLRIRLVNDUOAMRZ-UHFFFAOYSA-N
XLogP40.12
TPSA177.91 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002137.49
LogP ≤ 540.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline with MolForge

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Related Compounds

11-[4-(3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenyl]-[1]benzofuro[2,3-b]quinoline
CID 138662870
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
20-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,20-triazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432551
14-[3-[4-(2-methylbenzimidazol-1-yl)phenyl]phenyl]-2-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246988
10-(10-phenylanthracen-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037532
11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline
CID 138661799
11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline
CID 138662527
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
4-[4-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 58037935
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045

Frequently Asked Questions

What is the IUPAC name of 11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline (CID 159434078) is 11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline is Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3nc3oc4ccccc4c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4c5ccccc5nc5oc6ccccc6c45)ccc23)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6c7ccccc7nc7oc8ccccc8c67)c5)c4)n3)cc2)cc1.c1ccc2c(-c3ccc4c(c3)c3ccccc3c3nc5ccccc5n43)c3c(nc2c1)oc1ccccc13.
What is the InChIKey of 11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline?
The InChIKey is LRIRLVNDUOAMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O.C41H25NO.C34H19N3O.C29H19N3O/c1-3-13-31(14-4-1)32-25-27-34(28-26-32)46-50-45(33-15-5-2-6-16-33)51-47(52-46)38-20-12-18-36(30-38)35-17-11-19-37(29-35)43-39-21-7-9-23-41(39)49-48-44(43)40-22-8-10-24-42(40)53-48;1-3-13-26(14-4-1)37-29-17-7-8-18-30(29)38(27-15-5-2-6-16-27)34-25-28(23-24-31(34)37)39-32-19-9-11-21-35(32)42-41-40(39)33-20-10-12-22-36(33)43-41;1-2-10-22-21(9-1)25-19-20(17-18-28(25)37-29-15-7-6-14-27(29)35-33(22)37)31-23-11-3-5-13-26(23)36-34-32(31)24-12-4-8-16-30(24)38-34;1-18-30-24-11-5-6-12-25(24)32(18)20-16-14-19(15-17-20)27-21-8-2-4-10-23(21)31-29-28(27)22-9-3-7-13-26(22)33-29/h1-30H;1-25H;1-19H;2-17H,1H3.
What are the key properties of 11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline?
11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline has a molecular weight of 2137.49 g/mol, XLogP of 40.12, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-[1]benzofuro[2,3-b]quinoline;11-(9,10-diphenylanthracen-2-yl)-[1]benzofuro[2,3-b]quinoline;11-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1]benzofuro[2,3-b]quinoline;11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 159434078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).