14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene

C162H103N9S — CID 163881037

About 14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene

14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene (PubChem CID 163881037) has the molecular formula C162H103N9S and a molecular weight of 2207.74 g/mol. Its IUPAC name is 14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene.

Molecular Properties

• Compound Name: 14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene
• PubChem CID: 163881037
• Molecular Formula: C162H103N9S
• Molecular Weight: 2207.74 g/mol
• Exact Mass: 2205.81
• IUPAC Name: 14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4cc5c6c7ccccc7ccc6n(-c6ccccc6)c5cc4c4ccc5ccccc5c43)cc21.c1ccc(-n2c3cc4c5cc6ccccc6cc5n(-c5ccc6c(c5)sc5ccccc56)c4cc3c3ccc4ccccc4c32)cc1.c1ccc(-n2c3cc4c5cc6ccccc6cc5n(-c5cccnc5)c4cc3c3c4ccccc4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5ccccc5)c4cc32)cc1
• InChI: InChI=1S/C47H32N2.C44H26N2S.C37H23N3.C34H22N2/c1-47(2)40-19-11-10-18-35(40)36-24-22-32(26-41(36)47)49-43-28-39-44(27-38(43)37-23-20-30-13-7-9-17-34(30)46(37)49)48(31-14-4-3-5-15-31)42-25-21-29-12-6-8-16-33(29)45(39)42;1-2-13-30(14-3-1)46-41-26-38-36-22-28-11-4-5-12-29(28)23-39(36)45(31-19-21-34-33-16-8-9-17-42(33)47-43(34)24-31)40(38)25-37(41)35-20-18-27-10-6-7-15-32(27)44(35)46;1-2-12-27(13-3-1)39-33-17-16-24-9-6-7-15-29(24)37(33)32-22-35-31(21-36(32)39)30-19-25-10-4-5-11-26(25)20-34(30)40(35)28-14-8-18-38-23-28;1-3-12-24(13-4-1)35-31-18-10-9-17-27(31)29-21-30-28-20-19-23-11-7-8-16-26(23)34(28)36(33(30)22-32(29)35)25-14-5-2-6-15-25/h3-28H,1-2H3;1-26H;1-23H;1-22H
• InChIKey: PTFIPPZNGGJWAU-UHFFFAOYSA-N
• XLogP: 43.66
• TPSA: 52.33 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2207.74
LogP ≤ 5	43.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene?

The IUPAC name of 14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene (CID 163881037) is 14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene.

What is the SMILES notation for 14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene?

The canonical SMILES for 14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene is CC1(C)c2ccccc2-c2ccc(-n3c4cc5c6c7ccccc7ccc6n(-c6ccccc6)c5cc4c4ccc5ccccc5c43)cc21.c1ccc(-n2c3cc4c5cc6ccccc6cc5n(-c5ccc6c(c5)sc5ccccc56)c4cc3c3ccc4ccccc4c32)cc1.c1ccc(-n2c3cc4c5cc6ccccc6cc5n(-c5cccnc5)c4cc3c3c4ccccc4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5ccccc5)c4cc32)cc1.

What is the InChIKey of 14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene?

The InChIKey is PTFIPPZNGGJWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2.C44H26N2S.C37H23N3.C34H22N2/c1-47(2)40-19-11-10-18-35(40)36-24-22-32(26-41(36)47)49-43-28-39-44(27-38(43)37-23-20-30-13-7-9-17-34(30)46(37)49)48(31-14-4-3-5-15-31)42-25-21-29-12-6-8-16-33(29)45(39)42;1-2-13-30(14-3-1)46-41-26-38-36-22-28-11-4-5-12-29(28)23-39(36)45(31-19-21-34-33-16-8-9-17-42(33)47-43(34)24-31)40(38)25-37(41)35-20-18-27-10-6-7-15-32(27)44(35)46;1-2-12-27(13-3-1)39-33-17-16-24-9-6-7-15-29(24)37(33)32-22-35-31(21-36(32)39)30-19-25-10-4-5-11-26(25)20-34(30)40(35)28-14-8-18-38-23-28;1-3-12-24(13-4-1)35-31-18-10-9-17-27(31)29-21-30-28-20-19-23-11-7-8-16-26(23)34(28)36(33(30)22-32(29)35)25-14-5-2-6-15-25/h3-28H,1-2H3;1-26H;1-23H;1-22H.

What are the key properties of 14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene?

14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene has a molecular weight of 2207.74 g/mol, XLogP of 43.66, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 14-dibenzothiophen-3-yl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene;28-(9,9-dimethylfluoren-2-yl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;14-phenyl-28-pyridin-3-yl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaene is sourced from PubChem (CID 163881037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).