14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

C179H112N12O — CID 158355105

About 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (PubChem CID 158355105) has the molecular formula C179H112N12O and a molecular weight of 2446.95 g/mol. Its IUPAC name is 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• PubChem CID: 158355105
• Molecular Formula: C179H112N12O
• Molecular Weight: 2446.95 g/mol
• Exact Mass: 2444.91
• IUPAC Name: 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• SMILES: c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3ccc(-c5nc6ccccc6o5)cc3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3ccc5cccnc5c3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3ccc5ncccc5n3)c2)nc2ccccc24)cc1
• InChI: InChI=1S/C56H36N2.C44H27N3O.C40H25N3.C39H24N4/c1-4-19-40(20-5-1)56(41-21-6-2-7-22-41)48-28-13-10-25-43(48)44-32-31-38(36-49(44)56)37-17-16-18-39(35-37)55-47-33-34-52-54(53(47)45-26-11-14-29-50(45)57-55)46-27-12-15-30-51(46)58(52)42-23-8-3-9-24-42;1-2-13-32(14-3-1)47-38-19-8-5-16-34(38)42-39(47)26-25-35-41(42)33-15-4-6-17-36(33)45-43(35)31-12-10-11-30(27-31)28-21-23-29(24-22-28)44-46-37-18-7-9-20-40(37)48-44;1-2-13-30(14-3-1)43-36-18-7-5-16-32(36)39-37(43)22-21-33-38(39)31-15-4-6-17-34(31)42-40(33)29-11-8-10-27(24-29)28-20-19-26-12-9-23-41-35(26)25-28;1-2-12-27(13-3-1)43-35-18-7-5-15-29(35)38-36(43)22-19-30-37(38)28-14-4-6-16-32(28)42-39(30)26-11-8-10-25(24-26)31-20-21-33-34(41-31)17-9-23-40-33/h1-36H;1-27H;1-25H;1-24H
• InChIKey: GSTVYKNBBXXHIM-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 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The IUPAC name of 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (CID 158355105) is 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The canonical SMILES for 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3ccc(-c5nc6ccccc6o5)cc3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3ccc5c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3ccc5cccnc5c3)c2)nc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3ccc5ncccc5n3)c2)nc2ccccc24)cc1.

What is the InChIKey of 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

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

What are the key properties of 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-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 14-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(1,5-naphthyridin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;2-[4-[3-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-1,3-benzoxazole;9-phenyl-14-(3-quinolin-7-ylphenyl)-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 158355105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).