13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]

C156H93N9O2S — CID 159754861

About 13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]

13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole] (PubChem CID 159754861) has the molecular formula C156H93N9O2S and a molecular weight of 2157.59 g/mol. Its IUPAC name is 13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole].

Molecular Properties

• Compound Name: 13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]
• PubChem CID: 159754861
• Molecular Formula: C156H93N9O2S
• Molecular Weight: 2157.59 g/mol
• Exact Mass: 2155.72
• IUPAC Name: 13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]
• SMILES: c1ccc2c(c1)Oc1c(ccc3c4ccccc4n(-c4ccc(-c5cccc6cccnc56)cc4)c13)C21c2ccccc2-n2c3ccccc3c3cccc1c32.c1ccc2c(c1)Oc1cc3c(cc1C21c2ccccc2-n2c4ccccc4c4cccc1c42)c1ccccc1n3-c1ccc(-c2cccc3cccnc23)cc1.c1ccc2c(c1)Sc1c(ccc3c1c1ccccc1n3-c1ccc(-c3cccc4cccnc34)cc1)C21c2ccccc2-n2c3ccccc3c3cccc1c32
• InChI: InChI=1S/2C52H31N3O.C52H31N3S/c1-6-22-45-36(14-1)38-17-10-20-42-51(38)55(45)46-23-7-3-18-40(46)52(42)41-19-4-8-24-48(41)56-49-31-47-39(30-43(49)52)37-15-2-5-21-44(37)54(47)34-27-25-32(26-28-34)35-16-9-12-33-13-11-29-53-50(33)35;1-5-21-44-37(15-1)39-29-30-43-51(50(39)54(44)34-27-25-32(26-28-34)35-16-9-12-33-13-11-31-53-48(33)35)56-47-24-8-4-19-41(47)52(43)40-18-3-7-23-46(40)55-45-22-6-2-14-36(45)38-17-10-20-42(52)49(38)55;1-5-21-43-36(14-1)37-17-10-20-41-50(37)55(43)45-23-7-3-18-39(45)52(41)40-19-4-8-24-47(40)56-51-42(52)29-30-46-48(51)38-15-2-6-22-44(38)54(46)34-27-25-32(26-28-34)35-16-9-12-33-13-11-31-53-49(33)35/h3*1-31H
• InChIKey: NECYBQXPZILEPH-UHFFFAOYSA-N
• XLogP: 39.05
• TPSA: 86.71 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2157.59
LogP ≤ 5	39.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]?

The IUPAC name of 13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole] (CID 159754861) is 13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole].

What is the SMILES notation for 13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]?

The canonical SMILES for 13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole] is c1ccc2c(c1)Oc1c(ccc3c4ccccc4n(-c4ccc(-c5cccc6cccnc56)cc4)c13)C21c2ccccc2-n2c3ccccc3c3cccc1c32.c1ccc2c(c1)Oc1cc3c(cc1C21c2ccccc2-n2c4ccccc4c4cccc1c42)c1ccccc1n3-c1ccc(-c2cccc3cccnc23)cc1.c1ccc2c(c1)Sc1c(ccc3c1c1ccccc1n3-c1ccc(-c3cccc4cccnc34)cc1)C21c2ccccc2-n2c3ccccc3c3cccc1c32.

What is the InChIKey of 13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]?

The InChIKey is NECYBQXPZILEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H31N3O.C52H31N3S/c1-6-22-45-36(14-1)38-17-10-20-42-51(38)55(45)46-23-7-3-18-40(46)52(42)41-19-4-8-24-48(41)56-49-31-47-39(30-43(49)52)37-15-2-5-21-44(37)54(47)34-27-25-32(26-28-34)35-16-9-12-33-13-11-29-53-50(33)35;1-5-21-44-37(15-1)39-29-30-43-51(50(39)54(44)34-27-25-32(26-28-34)35-16-9-12-33-13-11-31-53-48(33)35)56-47-24-8-4-19-41(47)52(43)40-18-3-7-23-46(40)55-45-22-6-2-14-36(45)38-17-10-20-42(52)49(38)55;1-5-21-43-36(14-1)37-17-10-20-41-50(37)55(43)45-23-7-3-18-39(45)52(41)40-19-4-8-24-47(40)56-51-42(52)29-30-46-48(51)38-15-2-6-22-44(38)54(46)34-27-25-32(26-28-34)35-16-9-12-33-13-11-31-53-49(33)35/h3*1-31H.

What are the key properties of 13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]?

13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole] has a molecular weight of 2157.59 g/mol, XLogP of 39.05, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 13'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole];10'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene];5'-(4-quinolin-8-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole] is sourced from PubChem (CID 159754861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).