9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole

C96H56N8S2 — CID 158925541

About 9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole

9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 158925541) has the molecular formula C96H56N8S2 and a molecular weight of 1385.69 g/mol. Its IUPAC name is 9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole
• PubChem CID: 158925541
• Molecular Formula: C96H56N8S2
• Molecular Weight: 1385.69 g/mol
• Exact Mass: 1384.41
• IUPAC Name: 9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-c6cc7ccccc7c7c6sc6ccccc67)c6ccccc6n5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5nc(-c6cc7ccccc7c7c6sc6ccccc67)c6ccccc6n5)c4cc32)cc1
• InChI: InChI=1S/2C48H28N4S/c1-2-15-30(16-3-1)51-40-23-11-7-18-32(40)36-27-37-33-19-8-12-24-41(33)52(43(37)28-42(36)51)48-49-39-22-10-6-20-34(39)46(50-48)38-26-29-14-4-5-17-31(29)45-35-21-9-13-25-44(35)53-47(38)45;1-2-15-30(16-3-1)51-38-23-11-7-19-33(38)44-40(51)26-27-41-45(44)34-20-8-12-24-39(34)52(41)48-49-37-22-10-6-18-32(37)46(50-48)36-28-29-14-4-5-17-31(29)43-35-21-9-13-25-42(35)53-47(36)43/h2*1-28H
• InChIKey: JIJWNZAAZKHFSF-UHFFFAOYSA-N
• XLogP: 26.02
• TPSA: 71.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1385.69
LogP ≤ 5	26.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole?

The IUPAC name of 9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole (CID 158925541) is 9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole.

What is the SMILES notation for 9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole?

The canonical SMILES for 9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5nc(-c6cc7ccccc7c7c6sc6ccccc67)c6ccccc6n5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5nc(-c6cc7ccccc7c7c6sc6ccccc67)c6ccccc6n5)c4cc32)cc1.

What is the InChIKey of 9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole?

The InChIKey is JIJWNZAAZKHFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H28N4S/c1-2-15-30(16-3-1)51-40-23-11-7-18-32(40)36-27-37-33-19-8-12-24-41(33)52(43(37)28-42(36)51)48-49-39-22-10-6-20-34(39)46(50-48)38-26-29-14-4-5-17-31(29)45-35-21-9-13-25-44(35)53-47(38)45;1-2-15-30(16-3-1)51-38-23-11-7-19-33(38)44-40(51)26-27-41-45(44)34-20-8-12-24-39(34)52(41)48-49-37-22-10-6-18-32(37)46(50-48)36-28-29-14-4-5-17-31(29)43-35-21-9-13-25-42(35)53-47(36)43/h2*1-28H.

What are the key properties of 9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole?

9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole has a molecular weight of 1385.69 g/mol, XLogP of 26.02, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzothiol-6-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 158925541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).