10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C179H112N12O — CID 161168779

About 10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 161168779) has the molecular formula C179H112N12O and a molecular weight of 2446.95 g/mol. Its IUPAC name is 10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 161168779
• Molecular Formula: C179H112N12O
• Molecular Weight: 2446.95 g/mol
• Exact Mass: 2444.91
• IUPAC Name: 10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2nc3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6ccc(-c7nc8ccccc8o7)cc6)c5)c4cc23)cc1.c1ccc(-c2nc3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)c4cc23)cc1.c1ccc(-c2nc3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6ccc7ncccc7c6)c5)c4cc23)cc1.c1ccc(-c2nc3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6ccc7ncccc7n6)c5)c4cc23)cc1
• InChI: InChI=1S/C56H36N2.C44H27N3O.C40H25N3.C39H24N4/c1-4-17-37(18-5-1)55-49-36-54-48(35-47(49)45-26-11-14-29-52(45)57-55)46-27-12-15-30-53(46)58(54)42-24-16-19-38(33-42)39-31-32-44-43-25-10-13-28-50(43)56(51(44)34-39,40-20-6-2-7-21-40)41-22-8-3-9-23-41;1-2-11-29(12-3-1)43-37-27-41-36(26-35(37)33-15-4-6-17-38(33)45-43)34-16-5-8-19-40(34)47(41)32-14-10-13-31(25-32)28-21-23-30(24-22-28)44-46-39-18-7-9-20-42(39)48-44;1-2-10-26(11-3-1)40-35-25-39-34(24-33(35)31-15-4-6-17-37(31)42-40)32-16-5-7-18-38(32)43(39)30-14-8-12-27(23-30)28-19-20-36-29(22-28)13-9-21-41-36;1-2-10-25(11-3-1)39-32-24-38-31(23-30(32)28-14-4-6-16-34(28)42-39)29-15-5-7-18-37(29)43(38)27-13-8-12-26(22-27)33-19-20-35-36(41-33)17-9-21-40-35/h1-36H;1-27H;1-25H;1-24H
• InChIKey: UQXDIYPRNVDAAS-UHFFFAOYSA-N
• XLogP: 45.94
• TPSA: 135.98 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2446.95
LogP ≤ 5	45.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 161168779) is 10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2nc3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6ccc(-c7nc8ccccc8o7)cc6)c5)c4cc23)cc1.c1ccc(-c2nc3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)c4cc23)cc1.c1ccc(-c2nc3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6ccc7ncccc7c6)c5)c4cc23)cc1.c1ccc(-c2nc3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6ccc7ncccc7n6)c5)c4cc23)cc1.

What is the InChIKey of 10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is UQXDIYPRNVDAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2.C44H27N3O.C40H25N3.C39H24N4/c1-4-17-37(18-5-1)55-49-36-54-48(35-47(49)45-26-11-14-29-52(45)57-55)46-27-12-15-30-53(46)58(54)42-24-16-19-38(33-42)39-31-32-44-43-25-10-13-28-50(43)56(51(44)34-39,40-20-6-2-7-21-40)41-22-8-3-9-23-41;1-2-11-29(12-3-1)43-37-27-41-36(26-35(37)33-15-4-6-17-38(33)45-43)34-16-5-8-19-40(34)47(41)32-14-10-13-31(25-32)28-21-23-30(24-22-28)44-46-39-18-7-9-20-42(39)48-44;1-2-10-26(11-3-1)40-35-25-39-34(24-33(35)31-15-4-6-17-37(31)42-40)32-16-5-7-18-38(32)43(39)30-14-8-12-27(23-30)28-19-20-36-29(22-28)13-9-21-41-36;1-2-10-25(11-3-1)39-32-24-38-31(23-30(32)28-14-4-6-16-34(28)42-39)29-15-5-7-18-37(29)43(38)27-13-8-12-26(22-27)33-19-20-35-36(41-33)17-9-21-40-35/h1-36H;1-27H;1-25H;1-24H.

What are the key properties of 10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 2446.95 g/mol, XLogP of 45.94, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(9,9-diphenylfluoren-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10-[3-(1,5-naphthyridin-2-yl)phenyl]-14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[4-[3-(14-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]phenyl]-1,3-benzoxazole;14-phenyl-10-(3-quinolin-6-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 161168779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).