1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one

C184H105N17O4S4 — CID 163725228

IUPAC1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one
SMILESO=c1c2ccccc2c2c(-c3ccccc3)nc(-n3c4c(ccc5c6ccccc6sc54)c4c5ccccc5c5ccccc5c43)nc2n1-c1ccccc1.O=c1c2ccccc2c2c(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4ccc5c6ccccc6sc5c43)nc2n1-c1ccccc1.O=c1c2ccccc2c2cnc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6sc5c43)nc2n1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.O=c1c2cccnc2c2nc(-n3c4ccccc4c4ccc5c(sc6ccc7ccccc7c65)c43)ccc2n1-c1ccccc1
InChIInChI=1S/C51H29N5OS.C49H28N4OS.C45H26N4OS.C39H22N4OS/c57-50-39-19-7-6-16-34(39)41-29-52-51(53-49(41)55(50)32-23-24-36-35-17-8-10-20-42(35)54(44(36)28-32)31-13-2-1-3-14-31)56-43-27-22-30-12-4-5-15-33(30)46(43)40-26-25-38-37-18-9-11-21-45(37)58-48(38)47(40)56;54-48-38-25-12-10-23-35(38)42-43(29-15-3-1-4-16-29)50-49(51-47(42)52(48)30-17-5-2-6-18-30)53-44-36-24-11-8-20-32(36)31-19-7-9-22-34(31)41(44)39-28-27-37-33-21-13-14-26-40(33)55-46(37)45(39)53;50-44-36-21-10-9-20-32(36)38-39(28-14-3-1-4-15-28)46-45(47-43(38)48(44)29-16-5-2-6-17-29)49-40-30-18-8-7-13-27(30)23-24-33(40)34-25-26-35-31-19-11-12-22-37(31)51-42(35)41(34)49;44-39-29-14-8-22-40-35(29)36-31(42(39)24-10-2-1-3-11-24)19-21-33(41-36)43-30-15-7-6-13-26(30)27-17-18-28-34-25-12-5-4-9-23(25)16-20-32(34)45-38(28)37(27)43/h1-29H;1-28H;1-26H;1-22H
InChIKeyKUYRLUMBMSKYKK-UHFFFAOYSA-N
MW2746.25 g/mol
LogP45.79
Rot. Bonds11

About 1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one

1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one (PubChem CID 163725228) has the molecular formula C184H105N17O4S4 and a molecular weight of 2746.25 g/mol. Its IUPAC name is 1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one.

Molecular Properties

Compound Name1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one
PubChem CID163725228
Molecular FormulaC184H105N17O4S4
Molecular Weight2746.25 g/mol
Exact Mass2743.74
IUPAC Name1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one
SMILESO=c1c2ccccc2c2c(-c3ccccc3)nc(-n3c4c(ccc5c6ccccc6sc54)c4c5ccccc5c5ccccc5c43)nc2n1-c1ccccc1.O=c1c2ccccc2c2c(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4ccc5c6ccccc6sc5c43)nc2n1-c1ccccc1.O=c1c2ccccc2c2cnc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6sc5c43)nc2n1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.O=c1c2cccnc2c2nc(-n3c4ccccc4c4ccc5c(sc6ccc7ccccc7c65)c43)ccc2n1-c1ccccc1
InChIInChI=1S/C51H29N5OS.C49H28N4OS.C45H26N4OS.C39H22N4OS/c57-50-39-19-7-6-16-34(39)41-29-52-51(53-49(41)55(50)32-23-24-36-35-17-8-10-20-42(35)54(44(36)28-32)31-13-2-1-3-14-31)56-43-27-22-30-12-4-5-15-33(30)46(43)40-26-25-38-37-18-9-11-21-45(37)58-48(38)47(40)56;54-48-38-25-12-10-23-35(38)42-43(29-15-3-1-4-16-29)50-49(51-47(42)52(48)30-17-5-2-6-18-30)53-44-36-24-11-8-20-32(36)31-19-7-9-22-34(31)41(44)39-28-27-37-33-21-13-14-26-40(33)55-46(37)45(39)53;50-44-36-21-10-9-20-32(36)38-39(28-14-3-1-4-15-28)46-45(47-43(38)48(44)29-16-5-2-6-17-29)49-40-30-18-8-7-13-27(30)23-24-33(40)34-25-26-35-31-19-11-12-22-37(31)51-42(35)41(34)49;44-39-29-14-8-22-40-35(29)36-31(42(39)24-10-2-1-3-11-24)19-21-33(41-36)43-30-15-7-6-13-26(30)27-17-18-28-34-25-12-5-4-9-23(25)16-20-32(34)45-38(28)37(27)43/h1-29H;1-28H;1-26H;1-22H
InChIKeyKUYRLUMBMSKYKK-UHFFFAOYSA-N
XLogP45.79
TPSA215.77 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds11
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002746.25
LogP ≤ 545.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one?
The IUPAC name of 1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one (CID 163725228) is 1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one.
What is the SMILES notation for 1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one?
The canonical SMILES for 1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one is O=c1c2ccccc2c2c(-c3ccccc3)nc(-n3c4c(ccc5c6ccccc6sc54)c4c5ccccc5c5ccccc5c43)nc2n1-c1ccccc1.O=c1c2ccccc2c2c(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4ccc5c6ccccc6sc5c43)nc2n1-c1ccccc1.O=c1c2ccccc2c2cnc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6sc5c43)nc2n1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.O=c1c2cccnc2c2nc(-n3c4ccccc4c4ccc5c(sc6ccc7ccccc7c65)c43)ccc2n1-c1ccccc1.
What is the InChIKey of 1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one?
The InChIKey is KUYRLUMBMSKYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N5OS.C49H28N4OS.C45H26N4OS.C39H22N4OS/c57-50-39-19-7-6-16-34(39)41-29-52-51(53-49(41)55(50)32-23-24-36-35-17-8-10-20-42(35)54(44(36)28-32)31-13-2-1-3-14-31)56-43-27-22-30-12-4-5-15-33(30)46(43)40-26-25-38-37-18-9-11-21-45(37)58-48(38)47(40)56;54-48-38-25-12-10-23-35(38)42-43(29-15-3-1-4-16-29)50-49(51-47(42)52(48)30-17-5-2-6-18-30)53-44-36-24-11-8-20-32(36)31-19-7-9-22-34(31)41(44)39-28-27-37-33-21-13-14-26-40(33)55-46(37)45(39)53;50-44-36-21-10-9-20-32(36)38-39(28-14-3-1-4-15-28)46-45(47-43(38)48(44)29-16-5-2-6-17-29)49-40-30-18-8-7-13-27(30)23-24-33(40)34-25-26-35-31-19-11-12-22-37(31)51-42(35)41(34)49;44-39-29-14-8-22-40-35(29)36-31(42(39)24-10-2-1-3-11-24)19-21-33(41-36)43-30-15-7-6-13-26(30)27-17-18-28-34-25-12-5-4-9-23(25)16-20-32(34)45-38(28)37(27)43/h1-29H;1-28H;1-26H;1-22H.
What are the key properties of 1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one?
1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one has a molecular weight of 2746.25 g/mol, XLogP of 45.79, 11 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-3-(12-thia-15-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaen-15-yl)pyrimido[4,5-c]isoquinolin-6-one;1,5-diphenyl-3-(3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaen-24-yl)pyrimido[4,5-c]isoquinolin-6-one;5-(9-phenylcarbazol-2-yl)-3-(15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)pyrimido[4,5-c]isoquinolin-6-one;5-phenyl-2-(12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)pyrido[3,2-c][1,5]naphthyridin-6-one is sourced from PubChem (CID 163725228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).