5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C181H110N12S2 — CID 165023784

About 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 165023784) has the molecular formula C181H110N12S2 and a molecular weight of 2517.09 g/mol. Its IUPAC name is 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 165023784
• Molecular Formula: C181H110N12S2
• Molecular Weight: 2517.09 g/mol
• Exact Mass: 2514.84
• IUPAC Name: 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)ccc34)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5n(-c5ncc6cc(-c7ccc8ccccc8c7)ccc6n5)c4c32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6c7ccccc7sc6c6ccccc56)ccc34)ccc2c1
• InChI: InChI=1S/C50H30S.C49H31N5.C46H28N4.C36H21N3S/c1-3-13-33-27-36(23-21-31(33)11-1)48-40-17-6-7-18-41(40)49(37-24-22-32-12-2-4-14-34(32)28-37)45-29-35(25-26-42(45)48)44-30-46-39-16-9-10-20-47(39)51-50(46)43-19-8-5-15-38(43)44;1-4-15-32(16-5-1)47-50-48(33-17-6-2-7-18-33)52-49(51-47)38-24-14-19-34-31-36(27-28-37(34)38)54-42-26-13-11-23-40(42)46-44(54)30-29-43-45(46)39-22-10-12-25-41(39)53(43)35-20-8-3-9-21-35;1-2-14-34(15-3-1)49-40-20-10-8-18-37(40)42-35-16-6-7-17-36(35)43-38-19-9-11-21-41(38)50(45(43)44(42)49)46-47-28-33-27-32(24-25-39(33)48-46)31-23-22-29-12-4-5-13-30(29)26-31;1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-23-14-4-5-15-24(23)32-27-18-8-11-21-30(27)40-35(32)34(31)39/h1-30H;1-31H;1-28H;1-21H
• InChIKey: LOEQHCHBUSAVBT-UHFFFAOYSA-N
• XLogP: 48.75
• TPSA: 114.88 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2517.09
LogP ≤ 5	48.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 165023784) is 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)ccc34)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5n(-c5ncc6cc(-c7ccc8ccccc8c7)ccc6n5)c4c32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6c7ccccc7sc6c6ccccc56)ccc34)ccc2c1.

What is the InChIKey of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is LOEQHCHBUSAVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30S.C49H31N5.C46H28N4.C36H21N3S/c1-3-13-33-27-36(23-21-31(33)11-1)48-40-17-6-7-18-41(40)49(37-24-22-32-12-2-4-14-34(32)28-37)45-29-35(25-26-42(45)48)44-30-46-39-16-9-10-20-47(39)51-50(46)43-19-8-5-15-38(43)44;1-4-15-32(16-5-1)47-50-48(33-17-6-2-7-18-33)52-49(51-47)38-24-14-19-34-31-36(27-28-37(34)38)54-42-26-13-11-23-40(42)46-44(54)30-29-43-45(46)39-22-10-12-25-41(39)53(43)35-20-8-3-9-21-35;1-2-14-34(15-3-1)49-40-20-10-8-18-37(40)42-35-16-6-7-17-36(35)43-38-19-9-11-21-41(38)50(45(43)44(42)49)46-47-28-33-27-32(24-25-39(33)48-46)31-23-22-29-12-4-5-13-30(29)26-31;1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-23-14-4-5-15-24(23)32-27-18-8-11-21-30(27)40-35(32)34(31)39/h1-30H;1-31H;1-28H;1-21H.

What are the key properties of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 2517.09 g/mol, XLogP of 48.75, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzothiole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-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;3-(6-naphthalen-2-ylquinazolin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 165023784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).