5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine

C175H109N11OS — CID 157316977

About 5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine

5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine (PubChem CID 157316977) has the molecular formula C175H109N11OS and a molecular weight of 2413.94 g/mol. Its IUPAC name is 5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine.

Molecular Properties

• Compound Name: 5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine
• PubChem CID: 157316977
• Molecular Formula: C175H109N11OS
• Molecular Weight: 2413.94 g/mol
• Exact Mass: 2411.85
• IUPAC Name: 5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine
• SMILES: c1cc(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c2c(c1)cnc1cccnc12.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5cnc6cccnc6c45)c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ncc6cccnc6c45)c3)c2)cc1.c1ccc2c(c1)Oc1cccc3c4cc(-c5cccc6ccc7cccnc7c56)ccc4n-2c13
• InChI: InChI=1S/2C54H35N3.C36H21N3S.C31H18N2O/c1-3-13-36(14-4-1)38-17-9-19-40(29-38)44-31-45(41-20-10-18-39(30-41)37-15-5-2-6-16-37)33-46(32-44)42-26-27-51-48(34-42)47-22-7-8-24-50(47)57(51)52-25-11-23-49-53(52)54-43(35-56-49)21-12-28-55-54;1-3-13-36(14-4-1)38-17-9-19-40(29-38)44-31-45(41-20-10-18-39(30-41)37-15-5-2-6-16-37)33-46(32-44)42-26-27-51-48(34-42)47-22-7-8-24-50(47)57(51)52-25-11-21-43-35-56-49-23-12-28-55-54(49)53(43)52;1-3-11-30-25(8-1)27-19-22(23-15-17-34-28(20-23)26-9-2-4-13-33(26)40-34)14-16-31(27)39(30)32-12-5-7-24-21-38-29-10-6-18-37-36(29)35(24)32;1-2-11-27-26(10-1)33-25-16-15-21(18-24(25)23-9-4-12-28(34-27)31(23)33)22-8-3-6-19-13-14-20-7-5-17-32-30(20)29(19)22/h2*1-35H;1-21H;1-18H
• InChIKey: BDSCZZWYWLKLEN-UHFFFAOYSA-N
• XLogP: 46.60
• TPSA: 119.18 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2413.94
LogP ≤ 5	46.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine?

The IUPAC name of 5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine (CID 157316977) is 5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine.

What is the SMILES notation for 5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine?

The canonical SMILES for 5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine is c1cc(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c2c(c1)cnc1cccnc12.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5cnc6cccnc6c45)c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ncc6cccnc6c45)c3)c2)cc1.c1ccc2c(c1)Oc1cccc3c4cc(-c5cccc6ccc7cccnc7c56)ccc4n-2c13.

What is the InChIKey of 5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine?

The InChIKey is BDSCZZWYWLKLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H35N3.C36H21N3S.C31H18N2O/c1-3-13-36(14-4-1)38-17-9-19-40(29-38)44-31-45(41-20-10-18-39(30-41)37-15-5-2-6-16-37)33-46(32-44)42-26-27-51-48(34-42)47-22-7-8-24-50(47)57(51)52-25-11-23-49-53(52)54-43(35-56-49)21-12-28-55-54;1-3-13-36(14-4-1)38-17-9-19-40(29-38)44-31-45(41-20-10-18-39(30-41)37-15-5-2-6-16-37)33-46(32-44)42-26-27-51-48(34-42)47-22-7-8-24-50(47)57(51)52-25-11-21-43-35-56-49-23-12-28-55-54(49)53(43)52;1-3-11-30-25(8-1)27-19-22(23-15-17-34-28(20-23)26-9-2-4-13-33(26)40-34)14-16-31(27)39(30)32-12-5-7-24-21-38-29-10-6-18-37-36(29)35(24)32;1-2-11-27-26(10-1)33-25-16-15-21(18-24(25)23-9-4-12-28(34-27)31(23)33)22-8-3-6-19-13-14-20-7-5-17-32-30(20)29(19)22/h2*1-35H;1-21H;1-18H.

What are the key properties of 5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine?

5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine has a molecular weight of 2413.94 g/mol, XLogP of 46.60, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzo[h]quinolin-10-yl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[c][1,5]naphthyridine;10-[3-[3,5-bis(3-phenylphenyl)phenyl]carbazol-9-yl]benzo[h][1,6]naphthyridine;10-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzo[c][1,5]naphthyridine is sourced from PubChem (CID 157316977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).