9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene

C162H102N8 — CID 167600151

About 9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene

9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene (PubChem CID 167600151) has the molecular formula C162H102N8 and a molecular weight of 2160.65 g/mol. Its IUPAC name is 9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene.

Molecular Properties

• Compound Name: 9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
• PubChem CID: 167600151
• Molecular Formula: C162H102N8
• Molecular Weight: 2160.65 g/mol
• Exact Mass: 2158.82
• IUPAC Name: 9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4c3c3ccccc3c3c5c6ccccc6ccc5n(-c5ccccc5)c34)c2)cc1.c1ccc(-n2c3ccc4ccccc4c3c3c4ccccc4c4c(c5ccccc5n4-c4ccc5ccccc5c4)c32)cc1.c1ccc(-n2c3ccccc3c3c2c2ccccc2c2c4c5ccccc5ccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccc6ccccc6c5c5ccc6ccccc6c54)cc32)cc1
• InChI: InChI=1S/C44H28N2.C42H26N2.2C38H24N2/c1-3-14-29(15-4-1)31-17-13-20-33(28-31)46-38-25-12-11-24-37(38)42-43(46)36-23-10-9-22-35(36)41-40-34-21-8-7-16-30(34)26-27-39(40)45(44(41)42)32-18-5-2-6-19-32;1-2-15-30(16-3-1)43-37-25-23-28-13-6-7-17-32(28)38(37)39-33-18-8-9-19-34(33)41-40(42(39)43)35-20-10-11-21-36(35)44(41)31-24-22-27-12-4-5-14-29(27)26-31;1-3-14-26(15-4-1)39-32-22-12-11-21-31(32)36-37(39)30-20-10-9-19-29(30)35-34-28-18-8-7-13-25(28)23-24-33(34)40(38(35)36)27-16-5-2-6-17-27;1-2-12-27(13-3-1)39-34-17-9-8-16-31(34)32-22-20-28(24-36(32)39)40-35-23-19-25-10-4-6-14-29(25)37(35)33-21-18-26-11-5-7-15-30(26)38(33)40/h1-28H;1-26H;2*1-24H
• InChIKey: JPPLHPJUVKSUTP-UHFFFAOYSA-N
• XLogP: 43.57
• TPSA: 39.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2160.65
LogP ≤ 5	43.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene?

The IUPAC name of 9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene (CID 167600151) is 9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene.

What is the SMILES notation for 9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene?

The canonical SMILES for 9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene is c1ccc(-c2cccc(-n3c4ccccc4c4c3c3ccccc3c3c5c6ccccc6ccc5n(-c5ccccc5)c34)c2)cc1.c1ccc(-n2c3ccc4ccccc4c3c3c4ccccc4c4c(c5ccccc5n4-c4ccc5ccccc5c4)c32)cc1.c1ccc(-n2c3ccccc3c3c2c2ccccc2c2c4c5ccccc5ccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccc6ccccc6c5c5ccc6ccccc6c54)cc32)cc1.

What is the InChIKey of 9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene?

The InChIKey is JPPLHPJUVKSUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2.C42H26N2.2C38H24N2/c1-3-14-29(15-4-1)31-17-13-20-33(28-31)46-38-25-12-11-24-37(38)42-43(46)36-23-10-9-22-35(36)41-40-34-21-8-7-16-30(34)26-27-39(40)45(44(41)42)32-18-5-2-6-19-32;1-2-15-30(16-3-1)43-37-25-23-28-13-6-7-17-32(28)38(37)39-33-18-8-9-19-34(33)41-40(42(39)43)35-20-10-11-21-36(35)44(41)31-24-22-27-12-4-5-14-29(27)26-31;1-3-14-26(15-4-1)39-32-22-12-11-21-31(32)36-37(39)30-20-10-9-19-29(30)35-34-28-18-8-7-13-25(28)23-24-33(34)40(38(35)36)27-16-5-2-6-17-27;1-2-12-27(13-3-1)39-34-17-9-8-16-31(34)32-22-20-28(24-36(32)39)40-35-23-19-25-10-4-6-14-29(25)37(35)33-21-18-26-11-5-7-15-30(26)38(33)40/h1-28H;1-26H;2*1-24H.

What are the key properties of 9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene?

9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene has a molecular weight of 2160.65 g/mol, XLogP of 43.57, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9,28-diphenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;9-naphthalen-2-yl-28-phenyl-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;12-(9-phenylcarbazol-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;28-phenyl-9-(3-phenylphenyl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene is sourced from PubChem (CID 167600151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).