24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene

C87H47N9 — CID 134403921

About 24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene

24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene (PubChem CID 134403921) has the molecular formula C87H47N9 and a molecular weight of 1218.40 g/mol. Its IUPAC name is 24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene.

Molecular Properties

• Compound Name: 24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene
• PubChem CID: 134403921
• Molecular Formula: C87H47N9
• Molecular Weight: 1218.40 g/mol
• Exact Mass: 1217.40
• IUPAC Name: 24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene
• SMILES: c1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8n8c9cc%10ccccc%10cc9c(c65)c78)cc4)nc4c(-c5ccc6cc7c8c9c(cc%10c%11ccccc%11n(c7cc6c5)c%108)c5ccccc5n9-c5ncc6cccnc6n5)cccc34)ccc2c1
• InChI: InChI=1S/C87H47N9/c1-2-16-50-39-55(33-30-48(50)15-1)79-64-25-13-24-59(54-32-31-53-42-70-76(44-57(53)40-54)95-73-28-11-7-22-62(73)67-46-68-63-23-8-12-29-74(63)96(84(68)78(70)83(67)95)87-89-47-56-19-14-38-88-85(56)92-87)80(64)91-86(90-79)49-34-36-58(37-35-49)93-71-26-9-5-20-60(71)65-45-66-61-21-6-10-27-72(61)94-75-43-52-18-4-3-17-51(52)41-69(75)77(81(65)93)82(66)94/h1-47H
• InChIKey: DBLNLSSVCJIJBN-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 83.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1218.40
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene?

The IUPAC name of 24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene (CID 134403921) is 24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene.

What is the SMILES notation for 24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene?

The canonical SMILES for 24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene is c1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c8ccccc8n8c9cc%10ccccc%10cc9c(c65)c78)cc4)nc4c(-c5ccc6cc7c8c9c(cc%10c%11ccccc%11n(c7cc6c5)c%108)c5ccccc5n9-c5ncc6cccnc6n5)cccc34)ccc2c1.

What is the InChIKey of 24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene?

The InChIKey is DBLNLSSVCJIJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H47N9/c1-2-16-50-39-55(33-30-48(50)15-1)79-64-25-13-24-59(54-32-31-53-42-70-76(44-57(53)40-54)95-73-28-11-7-22-62(73)67-46-68-63-23-8-12-29-74(63)96(84(68)78(70)83(67)95)87-89-47-56-19-14-38-88-85(56)92-87)80(64)91-86(90-79)49-34-36-58(37-35-49)93-71-26-9-5-20-60(71)65-45-66-61-21-6-10-27-72(61)94-75-43-52-18-4-3-17-51(52)41-69(75)77(81(65)93)82(66)94/h1-47H.

What are the key properties of 24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene?

24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene has a molecular weight of 1218.40 g/mol, XLogP of 21.92, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]-4-naphthalen-2-ylquinazolin-8-yl]-3-pyrido[2,3-d]pyrimidin-2-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene is sourced from PubChem (CID 134403921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).