14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

C165H103N11S3 — CID 159141825

About 14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (PubChem CID 159141825) has the molecular formula C165H103N11S3 and a molecular weight of 2335.92 g/mol. Its IUPAC name is 14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• PubChem CID: 159141825
• Molecular Formula: C165H103N11S3
• Molecular Weight: 2335.92 g/mol
• Exact Mass: 2333.76
• IUPAC Name: 14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4c4c3cc(-c3ccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)cn3)c3sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4c4c3cc(-c3ccc5ccc6ccc(-c7ccccc7)nc6c5n3)c3sc5ccccc5c34)cc21.c1ccc(-n2c(-c3ccc(-c4cc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6ccccc6c5c5c4sc4ccccc45)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C57H36N4S.C56H34N4S.C52H33N3S/c1-57(2)44-17-9-6-14-38(44)39-26-22-36(30-45(39)57)53-43-31-42(56-52(41-16-8-11-19-50(41)62-56)51(43)40-15-7-10-18-49(40)61-53)48-29-25-37(32-58-48)47-28-24-35-21-20-34-23-27-46(33-12-4-3-5-13-33)59-54(34)55(35)60-47;1-3-15-38(16-4-1)59-48-24-12-8-19-40(48)44-33-37(31-32-49(44)59)54-45-34-43(55-53(42-21-9-14-26-51(42)61-55)52(45)41-20-7-10-22-46(41)57-54)35-27-29-36(30-28-35)56-58-47-23-11-13-25-50(47)60(56)39-17-5-2-6-18-39;1-52(2)40-17-9-6-14-34(40)35-25-22-33(28-41(35)52)48-39-29-38(51-47(37-16-8-11-19-45(37)56-51)46(39)36-15-7-10-18-43(36)54-48)44-27-24-32-21-20-31-23-26-42(30-12-4-3-5-13-30)53-49(31)50(32)55-44/h3-32H,1-2H3;1-34H;3-29H,1-2H3
• InChIKey: KIEIXFWSCJKWGL-UHFFFAOYSA-N
• XLogP: 44.57
• TPSA: 125.87 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2335.92
LogP ≤ 5	44.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (CID 159141825) is 14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

What is the SMILES notation for 14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The canonical SMILES for 14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4c4c3cc(-c3ccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)cn3)c3sc5ccccc5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4c4c3cc(-c3ccc5ccc6ccc(-c7ccccc7)nc6c5n3)c3sc5ccccc5c34)cc21.c1ccc(-n2c(-c3ccc(-c4cc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6ccccc6c5c5c4sc4ccccc45)cc3)nc3ccccc32)cc1.

What is the InChIKey of 14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

The InChIKey is KIEIXFWSCJKWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4S.C56H34N4S.C52H33N3S/c1-57(2)44-17-9-6-14-38(44)39-26-22-36(30-45(39)57)53-43-31-42(56-52(41-16-8-11-19-50(41)62-56)51(43)40-15-7-10-18-49(40)61-53)48-29-25-37(32-58-48)47-28-24-35-21-20-34-23-27-46(33-12-4-3-5-13-33)59-54(34)55(35)60-47;1-3-15-38(16-4-1)59-48-24-12-8-19-40(48)44-33-37(31-32-49(44)59)54-45-34-43(55-53(42-21-9-14-26-51(42)61-55)52(45)41-20-7-10-22-46(41)57-54)35-27-29-36(30-28-35)56-58-47-23-11-13-25-50(47)60(56)39-17-5-2-6-18-39;1-52(2)40-17-9-6-14-34(40)35-25-22-33(28-41(35)52)48-39-29-38(51-47(37-16-8-11-19-45(37)56-51)46(39)36-15-7-10-18-43(36)54-48)44-27-24-32-21-20-31-23-26-42(30-12-4-3-5-13-30)53-49(31)50(32)55-44/h3-32H,1-2H3;1-34H;3-29H,1-2H3.

What are the key properties of 14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?

14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene has a molecular weight of 2335.92 g/mol, XLogP of 44.57, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(9,9-dimethylfluoren-2-yl)-11-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(9-phenyl-1,10-phenanthrolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is sourced from PubChem (CID 159141825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).