14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole

C168H111N3 — CID 158115403

About 14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole

14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole (PubChem CID 158115403) has the molecular formula C168H111N3 and a molecular weight of 2171.76 g/mol. Its IUPAC name is 14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole.

Molecular Properties

• Compound Name: 14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole
• PubChem CID: 158115403
• Molecular Formula: C168H111N3
• Molecular Weight: 2171.76 g/mol
• Exact Mass: 2169.88
• IUPAC Name: 14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)cc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)cc4c4cc5c(cc43)-c3ccccc3C5c3ccccc3)c2)cc1.c1ccc(-c2cccc(C3c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)cc4-c4cc5c(cc43)C(c3ccccc3)c3ccccc3-5)c2)cc1
• InChI: InChI=1S/C57H38.C56H37N.C55H36N2/c1-4-15-36(16-5-1)39-21-14-22-42(31-39)57-48-30-28-41(40-27-29-47-49(32-40)43-23-10-12-25-45(43)55(47)37-17-6-2-7-18-37)33-50(48)52-34-51-44-24-11-13-26-46(44)56(53(51)35-54(52)57)38-19-8-3-9-20-38;1-4-15-36(16-5-1)39-21-14-22-42(31-39)57-53-30-28-41(40-27-29-47-48(32-40)43-23-10-12-25-45(43)55(47)37-17-6-2-7-18-37)33-50(53)51-34-52-49(35-54(51)57)44-24-11-13-26-46(44)56(52)38-19-8-3-9-20-38;1-4-15-36(16-5-1)38-19-14-22-42(33-38)57-50-30-28-40(39-27-29-45-47(34-39)43-23-10-11-24-44(43)53(45)37-17-6-2-7-18-37)35-48(50)55-52(57)32-31-51-54(55)46-25-12-13-26-49(46)56(51)41-20-8-3-9-21-41/h1-35,55-57H;1-35,55-56H;1-35,53H
• InChIKey: FQYAYFAWPDOJEP-UHFFFAOYSA-N
• XLogP: 43.32
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2171.76
LogP ≤ 5	43.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole?

The IUPAC name of 14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole (CID 158115403) is 14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole.

What is the SMILES notation for 14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole?

The canonical SMILES for 14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole is c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)cc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)cc4c4cc5c(cc43)-c3ccccc3C5c3ccccc3)c2)cc1.c1ccc(-c2cccc(C3c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)cc4-c4cc5c(cc43)C(c3ccccc3)c3ccccc3-5)c2)cc1.

What is the InChIKey of 14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole?

The InChIKey is FQYAYFAWPDOJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38.C56H37N.C55H36N2/c1-4-15-36(16-5-1)39-21-14-22-42(31-39)57-48-30-28-41(40-27-29-47-49(32-40)43-23-10-12-25-45(43)55(47)37-17-6-2-7-18-37)33-50(48)52-34-51-44-24-11-13-26-46(44)56(53(51)35-54(52)57)38-19-8-3-9-20-38;1-4-15-36(16-5-1)39-21-14-22-42(31-39)57-53-30-28-41(40-27-29-47-48(32-40)43-23-10-12-25-45(43)55(47)37-17-6-2-7-18-37)33-50(53)51-34-52-49(35-54(51)57)44-24-11-13-26-46(44)56(52)38-19-8-3-9-20-38;1-4-15-36(16-5-1)38-19-14-22-42(33-38)57-50-30-28-40(39-27-29-45-47(34-39)43-23-10-11-24-44(43)53(45)37-17-6-2-7-18-37)35-48(50)55-52(57)32-31-51-54(55)46-25-12-13-26-49(46)56(51)41-20-8-3-9-21-41/h1-35,55-57H;1-35,55-56H;1-35,53H.

What are the key properties of 14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole?

14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole has a molecular weight of 2171.76 g/mol, XLogP of 43.32, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole is sourced from PubChem (CID 158115403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).