3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene

C183H112N16O2S4 — CID 158017826

About 3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene

3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene (PubChem CID 158017826) has the molecular formula C183H112N16O2S4 and a molecular weight of 2695.29 g/mol. Its IUPAC name is 3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene.

Molecular Properties

• Compound Name: 3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
• PubChem CID: 158017826
• Molecular Formula: C183H112N16O2S4
• Molecular Weight: 2695.29 g/mol
• Exact Mass: 2692.80
• IUPAC Name: 3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
• SMILES: COc1ccc(-c2nc(-n3c4ccccc4c4ccc5c(sc6c7ccccc7n(-c7ccccc7)c56)c43)nc3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)c3nc(-n4c5ccccc5c5ccc6c(sc7c8ccccc8n(-c8ccccc8)c67)c54)nc(-c4ccccc4)c3c2)cc1.c1ccc(-c2cc3c(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c(sc7c8ccccc8n(-c8ccccc8)c67)c54)nc3c3ccccc23)cc1.c1ccc(Oc2nc(-n3c4ccccc4c4ccc5c(sc6c7ccccc7n(-c7ccccc7)c56)c43)nc3ccccc23)cc1
• InChI: InChI=1S/C52H32N4S.C50H30N4S.C41H26N4OS.C40H24N4OS/c1-5-17-33(18-6-1)36-31-42(34-19-7-2-8-20-34)47-43(32-36)46(35-21-9-3-10-22-35)53-52(54-47)56-44-27-15-13-25-38(44)39-29-30-41-49-50(57-51(41)48(39)56)40-26-14-16-28-45(40)55(49)37-23-11-4-12-24-37;1-4-16-31(17-5-1)40-30-41-44(32-18-6-2-7-19-32)51-50(52-45(41)36-24-11-10-22-34(36)40)54-42-26-14-12-23-35(42)37-28-29-39-47-48(55-49(39)46(37)54)38-25-13-15-27-43(38)53(47)33-20-8-3-9-21-33;1-46-27-21-19-25(20-22-27)36-30-14-5-8-16-33(30)42-41(43-36)45-34-17-9-6-13-28(34)29-23-24-32-38-39(47-40(32)37(29)45)31-15-7-10-18-35(31)44(38)26-11-3-2-4-12-26;1-3-13-25(14-4-1)43-34-22-12-9-19-30(34)37-36(43)31-24-23-28-27-17-8-11-21-33(27)44(35(28)38(31)46-37)40-41-32-20-10-7-18-29(32)39(42-40)45-26-15-5-2-6-16-26/h1-32H;1-30H;2-24H,1H3;1-24H
• InChIKey: FFRNCORBDRYVRR-UHFFFAOYSA-N
• XLogP: 49.11
• TPSA: 161.02 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2695.29
LogP ≤ 5	49.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?

The IUPAC name of 3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene (CID 158017826) is 3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene.

What is the SMILES notation for 3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?

The canonical SMILES for 3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene is COc1ccc(-c2nc(-n3c4ccccc4c4ccc5c(sc6c7ccccc7n(-c7ccccc7)c56)c43)nc3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)c3nc(-n4c5ccccc5c5ccc6c(sc7c8ccccc8n(-c8ccccc8)c67)c54)nc(-c4ccccc4)c3c2)cc1.c1ccc(-c2cc3c(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c(sc7c8ccccc8n(-c8ccccc8)c67)c54)nc3c3ccccc23)cc1.c1ccc(Oc2nc(-n3c4ccccc4c4ccc5c(sc6c7ccccc7n(-c7ccccc7)c56)c43)nc3ccccc23)cc1.

What is the InChIKey of 3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?

The InChIKey is FFRNCORBDRYVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4S.C50H30N4S.C41H26N4OS.C40H24N4OS/c1-5-17-33(18-6-1)36-31-42(34-19-7-2-8-20-34)47-43(32-36)46(35-21-9-3-10-22-35)53-52(54-47)56-44-27-15-13-25-38(44)39-29-30-41-49-50(57-51(41)48(39)56)40-26-14-16-28-45(40)55(49)37-23-11-4-12-24-37;1-4-16-31(17-5-1)40-30-41-44(32-18-6-2-7-19-32)51-50(52-45(41)36-24-11-10-22-34(36)40)54-42-26-14-12-23-35(42)37-28-29-39-47-48(55-49(39)46(37)54)38-25-13-15-27-43(38)53(47)33-20-8-3-9-21-33;1-46-27-21-19-25(20-22-27)36-30-14-5-8-16-33(30)42-41(43-36)45-34-17-9-6-13-28(34)29-23-24-32-38-39(47-40(32)37(29)45)31-15-7-10-18-35(31)44(38)26-11-3-2-4-12-26;1-3-13-25(14-4-1)43-34-22-12-9-19-30(34)37-36(43)31-24-23-28-27-17-8-11-21-33(27)44(35(28)38(31)46-37)40-41-32-20-10-7-18-29(32)39(42-40)45-26-15-5-2-6-16-26/h1-32H;1-30H;2-24H,1H3;1-24H.

What are the key properties of 3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?

3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene has a molecular weight of 2695.29 g/mol, XLogP of 49.11, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-diphenylbenzo[h]quinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-[4-(4-methoxyphenyl)quinazolin-2-yl]-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(4-phenoxyquinazolin-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;15-phenyl-3-(4,6,8-triphenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene is sourced from PubChem (CID 158017826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).