11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene

C188H120N8O4S4 — CID 157347221

About 11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene

11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene (PubChem CID 157347221) has the molecular formula C188H120N8O4S4 and a molecular weight of 2683.35 g/mol. Its IUPAC name is 11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene.

Molecular Properties

• Compound Name: 11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
• PubChem CID: 157347221
• Molecular Formula: C188H120N8O4S4
• Molecular Weight: 2683.35 g/mol
• Exact Mass: 2680.83
• IUPAC Name: 11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
• SMILES: CC1(C)c2cc(-c3ccc(-c4nc5c(ccc6c7ccccc7sc65)c5oc6ccccc6c45)cc3)ccc2-c2ccc(-c3cccnc3)cc21.CC1(C)c2cc(-c3cccnc3)ccc2-c2ccc(-c3cccc(-c4nc5c(ccc6c7ccccc7sc65)c5oc6ccccc6c45)c3)cc21.CC1(C)c2cc(-c3ccncc3)ccc2-c2ccc(-c3ccc(-c4nc5c(ccc6c7ccccc7sc65)c5oc6ccccc6c45)cc3)cc21.CC1(C)c2cc(-c3ccncc3)ccc2-c2ccc(-c3cccc(-c4nc5c(ccc6c7ccccc7sc65)c5oc6ccccc6c45)c3)cc21
• InChI: InChI=1S/4C47H30N2OS/c1-47(2)38-24-28(16-18-32(38)33-19-17-29(25-39(33)47)31-11-8-22-48-26-31)27-9-7-10-30(23-27)43-42-36-13-3-5-14-40(36)50-45(42)37-21-20-35-34-12-4-6-15-41(34)51-46(35)44(37)49-43;1-47(2)38-25-29(27-20-22-48-23-21-27)14-16-32(38)33-17-15-30(26-39(33)47)28-8-7-9-31(24-28)43-42-36-11-3-5-12-40(36)50-45(42)37-19-18-35-34-10-4-6-13-41(34)51-46(35)44(37)49-43;1-47(2)38-24-29(17-19-32(38)33-20-18-30(25-39(33)47)31-8-7-23-48-26-31)27-13-15-28(16-14-27)43-42-36-10-3-5-11-40(36)50-45(42)37-22-21-35-34-9-4-6-12-41(34)51-46(35)44(37)49-43;1-47(2)38-25-30(15-17-32(38)33-18-16-31(26-39(33)47)28-21-23-48-24-22-28)27-11-13-29(14-12-27)43-42-36-8-3-5-9-40(36)50-45(42)37-20-19-35-34-7-4-6-10-41(34)51-46(35)44(37)49-43/h4*3-26H,1-2H3
• InChIKey: BHCOKHSKUAGPGE-UHFFFAOYSA-N
• XLogP: 52.82
• TPSA: 155.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2683.35
LogP ≤ 5	52.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?

The IUPAC name of 11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene (CID 157347221) is 11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene.

What is the SMILES notation for 11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?

The canonical SMILES for 11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene is CC1(C)c2cc(-c3ccc(-c4nc5c(ccc6c7ccccc7sc65)c5oc6ccccc6c45)cc3)ccc2-c2ccc(-c3cccnc3)cc21.CC1(C)c2cc(-c3cccnc3)ccc2-c2ccc(-c3cccc(-c4nc5c(ccc6c7ccccc7sc65)c5oc6ccccc6c45)c3)cc21.CC1(C)c2cc(-c3ccncc3)ccc2-c2ccc(-c3ccc(-c4nc5c(ccc6c7ccccc7sc65)c5oc6ccccc6c45)cc3)cc21.CC1(C)c2cc(-c3ccncc3)ccc2-c2ccc(-c3cccc(-c4nc5c(ccc6c7ccccc7sc65)c5oc6ccccc6c45)c3)cc21.

What is the InChIKey of 11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?

The InChIKey is BHCOKHSKUAGPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C47H30N2OS/c1-47(2)38-24-28(16-18-32(38)33-19-17-29(25-39(33)47)31-11-8-22-48-26-31)27-9-7-10-30(23-27)43-42-36-13-3-5-14-40(36)50-45(42)37-21-20-35-34-12-4-6-15-41(34)51-46(35)44(37)49-43;1-47(2)38-25-29(27-20-22-48-23-21-27)14-16-32(38)33-17-15-30(26-39(33)47)28-8-7-9-31(24-28)43-42-36-11-3-5-12-40(36)50-45(42)37-19-18-35-34-10-4-6-13-41(34)51-46(35)44(37)49-43;1-47(2)38-24-29(17-19-32(38)33-20-18-30(25-39(33)47)31-8-7-23-48-26-31)27-13-15-28(16-14-27)43-42-36-10-3-5-11-40(36)50-45(42)37-22-21-35-34-9-4-6-12-41(34)51-46(35)44(37)49-43;1-47(2)38-25-30(15-17-32(38)33-18-16-31(26-39(33)47)28-21-23-48-24-22-28)27-11-13-29(14-12-27)43-42-36-8-3-5-9-40(36)50-45(42)37-20-19-35-34-7-4-6-10-41(34)51-46(35)44(37)49-43/h4*3-26H,1-2H3.

What are the key properties of 11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?

11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene has a molecular weight of 2683.35 g/mol, XLogP of 52.82, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[3-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;11-[4-(9,9-dimethyl-7-pyridin-4-ylfluoren-2-yl)phenyl]-3-oxa-15-thia-12-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 157347221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).