2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene

C170H98N12OS — CID 163586127

About 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene

2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene (PubChem CID 163586127) has the molecular formula C170H98N12OS and a molecular weight of 2356.80 g/mol. Its IUPAC name is 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
• PubChem CID: 163586127
• Molecular Formula: C170H98N12OS
• Molecular Weight: 2356.80 g/mol
• Exact Mass: 2354.77
• IUPAC Name: 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4nc5c(ccc6ccccc65)nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5oc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5sc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cc32)cc1
• InChI: InChI=1S/C58H34N4.C56H32N4O.C56H32N4S/c1-2-17-39(18-3-1)61-50-25-13-12-23-44(50)45-28-26-38(34-52(45)61)56-58(59-49-30-27-35-14-6-7-19-40(35)57(49)60-56)62-51-31-29-47-43-22-9-8-20-41(43)42-21-10-11-24-46(42)54(47)55(51)48-32-36-15-4-5-16-37(36)33-53(48)62;2*1-2-16-36(17-3-1)59-46-24-12-10-21-40(46)41-27-26-35(32-48(41)59)53-55(57-54-44-23-11-13-25-50(44)61-56(54)58-53)60-47-29-28-43-39-20-7-6-18-37(39)38-19-8-9-22-42(38)51(43)52(47)45-30-33-14-4-5-15-34(33)31-49(45)60/h1-34H;2*1-32H
• InChIKey: GLPZPYLDSRDYDN-UHFFFAOYSA-N
• XLogP: 45.43
• TPSA: 120.06 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2356.80
LogP ≤ 5	45.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene?

The IUPAC name of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene (CID 163586127) is 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene.

What is the SMILES notation for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene?

The canonical SMILES for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene is c1ccc(-n2c3ccccc3c3ccc(-c4nc5c(ccc6ccccc65)nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5oc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5sc6ccccc6c5nc4-n4c5cc6ccccc6cc5c5c6c7ccccc7c7ccccc7c6ccc54)cc32)cc1.

What is the InChIKey of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene?

The InChIKey is GLPZPYLDSRDYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4.C56H32N4O.C56H32N4S/c1-2-17-39(18-3-1)61-50-25-13-12-23-44(50)45-28-26-38(34-52(45)61)56-58(59-49-30-27-35-14-6-7-19-40(35)57(49)60-56)62-51-31-29-47-43-22-9-8-20-41(43)42-21-10-11-24-46(42)54(47)55(51)48-32-36-15-4-5-16-37(36)33-53(48)62;2*1-2-16-36(17-3-1)59-46-24-12-10-21-40(46)41-27-26-35(32-48(41)59)53-55(57-54-44-23-11-13-25-50(44)61-56(54)58-53)60-47-29-28-43-39-20-7-6-18-37(39)38-19-8-9-22-42(38)51(43)52(47)45-30-33-14-4-5-15-34(33)31-49(45)60/h1-34H;2*1-32H.

What are the key properties of 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene?

2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene has a molecular weight of 2356.80 g/mol, XLogP of 45.43, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 163586127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).