7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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

C165H95N13S3 — CID 159306019

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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 159306019) has the molecular formula C165H95N13S3 and a molecular weight of 2355.87 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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: 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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: 159306019
• Molecular Formula: C165H95N13S3
• Molecular Weight: 2355.87 g/mol
• Exact Mass: 2353.70
• IUPAC Name: 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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(-c3ccc4sc5c(c4c3)c3ccccc3c3c4ccccc4n(-c4nc(-c6ccc7ccccc7c6)c6ccc7ccccc7c6n4)c53)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6c(c5c4)c4ccccc4c4c5ccccc5n(-c5nc(-c7ccc8ccccc8c7)c7ccc8ccccc8c7n5)c64)cc32)cc1.c1ccc2c(-c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc4c3ccc3ccccc34)cccc2c1
• InChI: InChI=1S/C62H36N4S.C59H34N6S.C44H25N3S/c1-2-17-43(18-3-1)65-52-24-12-10-20-45(52)46-31-29-41(36-54(46)65)40-30-33-55-51(35-40)57-48-22-9-8-21-47(48)56-49-23-11-13-25-53(49)66(60(56)61(57)67-55)62-63-58(42-27-26-37-14-4-5-16-39(37)34-42)50-32-28-38-15-6-7-19-44(38)59(50)64-62;1-3-17-37(18-4-1)56-62-57(38-19-5-2-6-20-38)64-58(63-56)41-30-32-49-47(34-41)51-44-24-12-11-23-43(44)50-45-25-13-14-26-48(45)65(54(50)55(51)66-49)59-60-52(40-28-27-35-15-7-8-21-39(35)33-40)46-31-29-36-16-9-10-22-42(36)53(46)61-59;1-3-15-28-26(12-1)14-11-21-32(28)41-35-25-24-27-13-2-4-16-29(27)40(35)45-44(46-41)47-36-22-9-7-19-33(36)38-30-17-5-6-18-31(30)39-34-20-8-10-23-37(34)48-43(39)42(38)47/h1-36H;1-34H;1-25H
• InChIKey: LBXUCPZZVHXFOU-UHFFFAOYSA-N
• XLogP: 44.61
• TPSA: 135.73 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2355.87
LogP ≤ 5	44.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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 159306019) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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(-c3ccc4sc5c(c4c3)c3ccccc3c3c4ccccc4n(-c4nc(-c6ccc7ccccc7c6)c6ccc7ccccc7c6n4)c53)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6c(c5c4)c4ccccc4c4c5ccccc5n(-c5nc(-c7ccc8ccccc8c7)c7ccc8ccccc8c7n5)c64)cc32)cc1.c1ccc2c(-c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc4c3ccc3ccccc34)cccc2c1.

What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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 LBXUCPZZVHXFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4S.C59H34N6S.C44H25N3S/c1-2-17-43(18-3-1)65-52-24-12-10-20-45(52)46-31-29-41(36-54(46)65)40-30-33-55-51(35-40)57-48-22-9-8-21-47(48)56-49-23-11-13-25-53(49)66(60(56)61(57)67-55)62-63-58(42-27-26-37-14-4-5-16-39(37)34-42)50-32-28-38-15-6-7-19-44(38)59(50)64-62;1-3-17-37(18-4-1)56-62-57(38-19-5-2-6-20-38)64-58(63-56)41-30-32-49-47(34-41)51-44-24-12-11-23-43(44)50-45-25-13-14-26-48(45)65(54(50)55(51)66-49)59-60-52(40-28-27-35-15-7-8-21-39(35)33-40)46-31-29-36-16-9-10-22-42(36)53(46)61-59;1-3-15-28-26(12-1)14-11-21-32(28)41-35-25-24-27-13-2-4-16-29(27)40(35)45-44(46-41)47-36-22-9-7-19-33(36)38-30-17-5-6-18-31(30)39-34-20-8-10-23-37(34)48-43(39)42(38)47/h1-36H;1-34H;1-25H.

What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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?

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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 2355.87 g/mol, XLogP of 44.61, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-7-(9-phenylcarbazol-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;24-(4-naphthalen-1-ylbenzo[h]quinazolin-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 159306019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).