18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

C265H164N26S — CID 159659587

About 18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 159659587) has the molecular formula C265H164N26S and a molecular weight of 3744.48 g/mol. Its IUPAC name is 18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

• Compound Name: 18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
• PubChem CID: 159659587
• Molecular Formula: C265H164N26S
• Molecular Weight: 3744.48 g/mol
• Exact Mass: 3741.34
• IUPAC Name: 18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
• SMILES: C(=C/c1ccc2c(c1)nc1c3ccccc3c3ccccc3n21)\c1ccccc1.c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)nc4c6ccccc6c6ccccc6n54)cc3)s2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)nc3c5ccccc5c5ccccc5n43)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)nc4c6ccccc6c6ccccc6n54)cc32)cc1.c1ccc2c(c1)c1ccccc1n1c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3nc21.c1ccc2c(c1)c1ccccc1n1c3ccc(-c4ccncc4)cc3nc21.c1ccc2c(c1)nc(-c1ccc3c(c1)nc1c4ccccc4c4ccccc4n31)n1c3ccccc3nc21.c1cnc2c(c1)ccc1ccc(-c3ccc4c(c3)nc3c5ccccc5c5ccccc5n43)nc12
• InChI: InChI=1S/C44H28N2.C37H23N3.C35H22N2S.C34H21N5.C33H19N5.C31H18N4.C27H18N2.C24H15N3/c1-3-13-31(14-4-1)44(32-15-5-2-6-16-32)38-21-11-9-18-34(38)35-25-23-29(27-39(35)44)30-24-26-42-40(28-30)45-43-37-20-8-7-17-33(37)36-19-10-12-22-41(36)46(42)43;1-2-13-31-27(9-1)28-10-3-8-16-35(28)40-36-22-19-25(23-32(36)38-37(31)40)24-17-20-26(21-18-24)39-33-14-6-4-11-29(33)30-12-5-7-15-34(30)39;1-2-8-24(9-3-1)33-20-21-34(38-33)25-16-14-23(15-17-25)26-18-19-32-30(22-26)36-35-29-12-5-4-10-27(29)28-11-6-7-13-31(28)37(32)35;1-3-11-22(12-4-1)31-36-32(23-13-5-2-6-14-23)38-33(37-31)24-19-20-30-28(21-24)35-34-27-17-8-7-15-25(27)26-16-9-10-18-29(26)39(30)34;1-2-11-23-21(9-1)22-10-4-7-15-28(22)37-30-18-17-20(19-27(30)36-32(23)37)31-34-25-13-5-3-12-24(25)33-35-26-14-6-8-16-29(26)38(31)33;1-2-9-24-22(7-1)23-8-3-4-10-27(23)35-28-16-14-21(18-26(28)34-31(24)35)25-15-13-20-12-11-19-6-5-17-32-29(19)30(20)33-25;1-2-8-19(9-3-1)14-15-20-16-17-26-24(18-20)28-27-23-12-5-4-10-21(23)22-11-6-7-13-25(22)29(26)27;1-2-7-20-18(5-1)19-6-3-4-8-22(19)27-23-10-9-17(15-21(23)26-24(20)27)16-11-13-25-14-12-16/h1-28H;1-23H;1-22H;1-21H;1-19H;1-18H;1-18H;1-15H/b;;;;;;15-14+
• InChIKey: MSPZFJPRNAJSMC-JXFCDEAASA-N
• XLogP: 66.41
• TPSA: 250.86 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 292
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3744.48
LogP ≤ 5	66.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The IUPAC name of 18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (CID 159659587) is 18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.

What is the SMILES notation for 18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The canonical SMILES for 18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is C(=C/c1ccc2c(c1)nc1c3ccccc3c3ccccc3n21)\c1ccccc1.c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)nc4c6ccccc6c6ccccc6n54)cc3)s2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)nc3c5ccccc5c5ccccc5n43)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(c4)nc4c6ccccc6c6ccccc6n54)cc32)cc1.c1ccc2c(c1)c1ccccc1n1c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3nc21.c1ccc2c(c1)c1ccccc1n1c3ccc(-c4ccncc4)cc3nc21.c1ccc2c(c1)nc(-c1ccc3c(c1)nc1c4ccccc4c4ccccc4n31)n1c3ccccc3nc21.c1cnc2c(c1)ccc1ccc(-c3ccc4c(c3)nc3c5ccccc5c5ccccc5n43)nc12.

What is the InChIKey of 18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The InChIKey is MSPZFJPRNAJSMC-JXFCDEAASA-N. The full InChI is InChI=1S/C44H28N2.C37H23N3.C35H22N2S.C34H21N5.C33H19N5.C31H18N4.C27H18N2.C24H15N3/c1-3-13-31(14-4-1)44(32-15-5-2-6-16-32)38-21-11-9-18-34(38)35-25-23-29(27-39(35)44)30-24-26-42-40(28-30)45-43-37-20-8-7-17-33(37)36-19-10-12-22-41(36)46(42)43;1-2-13-31-27(9-1)28-10-3-8-16-35(28)40-36-22-19-25(23-32(36)38-37(31)40)24-17-20-26(21-18-24)39-33-14-6-4-11-29(33)30-12-5-7-15-34(30)39;1-2-8-24(9-3-1)33-20-21-34(38-33)25-16-14-23(15-17-25)26-18-19-32-30(22-26)36-35-29-12-5-4-10-27(29)28-11-6-7-13-31(28)37(32)35;1-3-11-22(12-4-1)31-36-32(23-13-5-2-6-14-23)38-33(37-31)24-19-20-30-28(21-24)35-34-27-17-8-7-15-25(27)26-16-9-10-18-29(26)39(30)34;1-2-11-23-21(9-1)22-10-4-7-15-28(22)37-30-18-17-20(19-27(30)36-32(23)37)31-34-25-13-5-3-12-24(25)33-35-26-14-6-8-16-29(26)38(31)33;1-2-9-24-22(7-1)23-8-3-4-10-27(23)35-28-16-14-21(18-26(28)34-31(24)35)25-15-13-20-12-11-19-6-5-17-32-29(19)30(20)33-25;1-2-8-19(9-3-1)14-15-20-16-17-26-24(18-20)28-27-23-12-5-4-10-21(23)22-11-6-7-13-25(22)29(26)27;1-2-7-20-18(5-1)19-6-3-4-8-22(19)27-23-10-9-17(15-21(23)26-24(20)27)16-11-13-25-14-12-16/h1-28H;1-23H;1-22H;1-21H;1-19H;1-18H;1-18H;1-15H/b;;;;;;15-14+;.

What are the key properties of 18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 3744.48 g/mol, XLogP of 66.41, 16 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(benzimidazolo[1,2-c]quinazolin-6-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4-carbazol-9-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(9,9-diphenylfluoren-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-(1,10-phenanthrolin-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[(E)-2-phenylethenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-[4-(5-phenylthiophen-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;18-pyridin-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 159659587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).