4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one

C135H78N12O3S3 — CID 163495458

About 4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one

4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one (PubChem CID 163495458) has the molecular formula C135H78N12O3S3 and a molecular weight of 2012.39 g/mol. Its IUPAC name is 4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one.

Molecular Properties

• Compound Name: 4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one
• PubChem CID: 163495458
• Molecular Formula: C135H78N12O3S3
• Molecular Weight: 2012.39 g/mol
• Exact Mass: 2010.55
• IUPAC Name: 4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one
• SMILES: O=c1c2c(-c3ccc(-c4ccccc4)cc3)nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc2c2ccccc2n1-c1ccccc1.O=c1c2c(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc2c2ccccc2n1-c1ccccc1.O=c1c2cc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)ncc2c2ncccc2n1-c1ccccc1
• InChI: InChI=1S/C51H30N4OS.C45H26N4OS.C39H22N4OS/c56-50-45-46(33-29-27-32(28-30-33)31-15-3-1-4-16-31)52-51(53-47(45)38-22-10-13-25-41(38)54(50)34-17-5-2-6-18-34)55-40-24-12-9-21-37(40)43-35-19-7-8-20-36(35)44-39-23-11-14-26-42(39)57-49(44)48(43)55;50-44-39-40(27-15-3-1-4-16-27)46-45(47-41(39)32-22-10-13-25-35(32)48(44)28-17-5-2-6-18-28)49-34-24-12-9-21-31(34)37-29-19-7-8-20-30(29)38-33-23-11-14-26-36(33)51-43(38)42(37)49;44-39-28-21-33(41-22-29(28)36-31(18-10-20-40-36)42(39)23-11-2-1-3-12-23)43-30-17-8-6-15-26(30)34-24-13-4-5-14-25(24)35-27-16-7-9-19-32(27)45-38(35)37(34)43/h1-30H;1-26H;1-22H
• InChIKey: CQHNSTUCKBLDIH-UHFFFAOYSA-N
• XLogP: 33.66
• TPSA: 158.13 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2012.39
LogP ≤ 5	33.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one?

The IUPAC name of 4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one (CID 163495458) is 4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one.

What is the SMILES notation for 4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one?

The canonical SMILES for 4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one is O=c1c2c(-c3ccc(-c4ccccc4)cc3)nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc2c2ccccc2n1-c1ccccc1.O=c1c2c(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc2c2ccccc2n1-c1ccccc1.O=c1c2cc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)ncc2c2ncccc2n1-c1ccccc1.

What is the InChIKey of 4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one?

The InChIKey is CQHNSTUCKBLDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS.C45H26N4OS.C39H22N4OS/c56-50-45-46(33-29-27-32(28-30-33)31-15-3-1-4-16-31)52-51(53-47(45)38-22-10-13-25-41(38)54(50)34-17-5-2-6-18-34)55-40-24-12-9-21-37(40)43-35-19-7-8-20-36(35)44-39-23-11-14-26-42(39)57-49(44)48(43)55;50-44-39-40(27-15-3-1-4-16-27)46-45(47-41(39)32-22-10-13-25-35(32)48(44)28-17-5-2-6-18-28)49-34-24-12-9-21-31(34)37-29-19-7-8-20-30(29)38-33-23-11-14-26-36(33)51-43(38)42(37)49;44-39-28-21-33(41-22-29(28)36-31(18-10-20-40-36)42(39)23-11-2-1-3-12-23)43-30-17-8-6-15-26(30)34-24-13-4-5-14-25(24)35-27-16-7-9-19-32(27)45-38(35)37(34)43/h1-30H;1-26H;1-22H.

What are the key properties of 4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one?

4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one has a molecular weight of 2012.39 g/mol, XLogP of 33.66, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-diphenyl-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;6-phenyl-4-(4-phenylphenyl)-2-(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-undecaen-24-yl)pyrimido[5,4-c]quinolin-5-one;5-phenyl-8-(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-undecaen-24-yl)pyrido[3,2-c][2,6]naphthyridin-6-one is sourced from PubChem (CID 163495458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).