13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene

C156H87N9S3 — CID 163625638

About 13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene

13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene (PubChem CID 163625638) has the molecular formula C156H87N9S3 and a molecular weight of 2183.68 g/mol. Its IUPAC name is 13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
• PubChem CID: 163625638
• Molecular Formula: C156H87N9S3
• Molecular Weight: 2183.68 g/mol
• Exact Mass: 2181.62
• IUPAC Name: 13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
• SMILES: c1ccc2c(c1)ccc1c(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)nc12.c1ccc2c(c1)ccc1nc(-c3ccc4sc5ccccc5c4c3)c(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)nc12.c1ccc2c(c1)ccc1nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)nc(-c3ccc4sc5ccccc5c4c3)c12
• InChI: InChI=1S/3C52H29N3S/c1-3-13-33-30(11-1)22-26-43-50(33)54-52(49(53-43)32-23-28-46-42(29-32)38-18-9-10-20-45(38)56-46)55-44-27-25-40-37-17-6-5-15-35(37)36-16-7-8-19-39(36)47(40)48(44)41-24-21-31-12-2-4-14-34(31)51(41)55;1-3-13-33-30(11-1)22-26-43-48(33)50(32-23-28-46-42(29-32)38-18-9-10-20-45(38)56-46)54-52(53-43)55-44-27-25-40-37-17-6-5-15-35(37)36-16-7-8-19-39(36)47(40)49(44)41-24-21-31-12-2-4-14-34(31)51(41)55;1-3-13-33-30(11-1)22-25-42-49(32-23-28-46-43(29-32)38-18-9-10-20-45(38)56-46)53-52(54-50(33)42)55-44-27-26-40-37-17-6-5-15-35(37)36-16-7-8-19-39(36)47(40)48(44)41-24-21-31-12-2-4-14-34(31)51(41)55/h3*1-29H
• InChIKey: HRTZRGOGSZQHRM-UHFFFAOYSA-N
• XLogP: 43.58
• TPSA: 92.13 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2183.68
LogP ≤ 5	43.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?

The IUPAC name of 13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene (CID 163625638) is 13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene.

What is the SMILES notation for 13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?

The canonical SMILES for 13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene is c1ccc2c(c1)ccc1c(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)nc12.c1ccc2c(c1)ccc1nc(-c3ccc4sc5ccccc5c4c3)c(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)nc12.c1ccc2c(c1)ccc1nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)nc(-c3ccc4sc5ccccc5c4c3)c12.

What is the InChIKey of 13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?

The InChIKey is HRTZRGOGSZQHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H29N3S/c1-3-13-33-30(11-1)22-26-43-50(33)54-52(49(53-43)32-23-28-46-42(29-32)38-18-9-10-20-45(38)56-46)55-44-27-25-40-37-17-6-5-15-35(37)36-16-7-8-19-39(36)47(40)48(44)41-24-21-31-12-2-4-14-34(31)51(41)55;1-3-13-33-30(11-1)22-26-43-48(33)50(32-23-28-46-42(29-32)38-18-9-10-20-45(38)56-46)54-52(53-43)55-44-27-25-40-37-17-6-5-15-35(37)36-16-7-8-19-39(36)47(40)49(44)41-24-21-31-12-2-4-14-34(31)51(41)55;1-3-13-33-30(11-1)22-25-42-49(32-23-28-46-43(29-32)38-18-9-10-20-45(38)56-46)53-52(54-50(33)42)55-44-27-26-40-37-17-6-5-15-35(37)36-16-7-8-19-39(36)47(40)48(44)41-24-21-31-12-2-4-14-34(31)51(41)55/h3*1-29H.

What are the key properties of 13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?

13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene has a molecular weight of 2183.68 g/mol, XLogP of 43.58, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(1-dibenzothiophen-2-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(4-dibenzothiophen-2-ylbenzo[h]quinazolin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-(3-dibenzothiophen-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 163625638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).