3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene

C132H74N14 — CID 157171158

About 3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene

3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene (PubChem CID 157171158) has the molecular formula C132H74N14 and a molecular weight of 1856.14 g/mol. Its IUPAC name is 3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene.

Molecular Properties

• Compound Name: 3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
• PubChem CID: 157171158
• Molecular Formula: C132H74N14
• Molecular Weight: 1856.14 g/mol
• Exact Mass: 1854.62
• IUPAC Name: 3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
• SMILES: N#Cc1cccc(-c2nc(-n3c4ccccc4c4c5c6c7ccccc7ccc6n6c7ccccc7c(cc43)c56)nc3ccccc23)c1.c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5c6c7c8ccccc8ccc7n7c8ccccc8c(cc54)c67)cncc32)cc1.c1ccc2c(c1)ccc1c2c2c3c4ccccc4n(-c4ccc(-n5c6ccccc6c6ccncc65)cn4)c3cc3c4ccccc4n1c32
• InChI: InChI=1S/C45H26N4.C44H25N5.C43H23N5/c1-2-13-28(14-3-1)47-35-20-10-7-17-31(35)41-39(47)25-46-26-40(41)48-36-21-11-8-18-32(36)43-38(48)24-33-30-16-6-9-19-34(30)49-37-23-22-27-12-4-5-15-29(27)42(37)44(43)45(33)49;1-2-10-28-26(9-1)17-19-37-41(28)43-42-32-13-5-8-16-36(32)48(38(42)23-33-30-12-4-7-15-35(30)49(37)44(33)43)40-20-18-27(24-46-40)47-34-14-6-3-11-29(34)31-21-22-45-25-39(31)47;44-24-25-10-9-12-27(22-25)41-30-15-3-6-17-33(30)45-43(46-41)48-35-19-8-5-16-31(35)39-37(48)23-32-29-14-4-7-18-34(29)47-36-21-20-26-11-1-2-13-28(26)38(36)40(39)42(32)47/h1-26H;1-25H;1-23H
• InChIKey: ANMAZHRKFZKCLQ-UHFFFAOYSA-N
• XLogP: 33.12
• TPSA: 126.12 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1856.14
LogP ≤ 5	33.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene?

The IUPAC name of 3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene (CID 157171158) is 3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene.

What is the SMILES notation for 3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene?

The canonical SMILES for 3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene is N#Cc1cccc(-c2nc(-n3c4ccccc4c4c5c6c7ccccc7ccc6n6c7ccccc7c(cc43)c56)nc3ccccc23)c1.c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5c6c7c8ccccc8ccc7n7c8ccccc8c(cc54)c67)cncc32)cc1.c1ccc2c(c1)ccc1c2c2c3c4ccccc4n(-c4ccc(-n5c6ccccc6c6ccncc65)cn4)c3cc3c4ccccc4n1c32.

What is the InChIKey of 3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene?

The InChIKey is ANMAZHRKFZKCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4.C44H25N5.C43H23N5/c1-2-13-28(14-3-1)47-35-20-10-7-17-31(35)41-39(47)25-46-26-40(41)48-36-21-11-8-18-32(36)43-38(48)24-33-30-16-6-9-19-34(30)49-37-23-22-27-12-4-5-15-29(27)42(37)44(43)45(33)49;1-2-10-28-26(9-1)17-19-37-41(28)43-42-32-13-5-8-16-36(32)48(38(42)23-33-30-12-4-7-15-35(30)49(37)44(33)43)40-20-18-27(24-46-40)47-34-14-6-3-11-29(34)31-21-22-45-25-39(31)47;44-24-25-10-9-12-27(22-25)41-30-15-3-6-17-33(30)45-43(46-41)48-35-19-8-5-16-31(35)39-37(48)23-32-29-14-4-7-18-34(29)47-36-21-20-26-11-1-2-13-28(26)38(36)40(39)42(32)47/h1-26H;1-25H;1-23H.

What are the key properties of 3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene?

3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene has a molecular weight of 1856.14 g/mol, XLogP of 33.12, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)quinazolin-4-yl]benzonitrile;9-(9-phenylpyrido[3,4-b]indol-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene;9-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene is sourced from PubChem (CID 157171158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).