4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid

C145H117B2Cl3N12O4 — CID 158176014

IUPAC4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid
SMILESC.C.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.CC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc3cc21.CC1(C)c2ccccc2-c2cc3c(Cl)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc3cc21.CC1(C)c2ccccc2-c2cc3c(Cl)cc(Cl)nc3cc21.OB(O)c1ccc2ccccc2c1
InChIInChI=1S/C49H34N4.C39H27ClN4.C27H26BN3O2.C18H13Cl2N.C10H9BO2.2CH4/c1-49(2)42-23-12-11-22-38(42)40-28-41-39(35-25-24-31-14-9-10-19-34(31)26-35)29-44(50-45(41)30-43(40)49)36-20-13-21-37(27-36)48-52-46(32-15-5-3-6-16-32)51-47(53-48)33-17-7-4-8-18-33;1-39(2)31-19-10-9-18-28(31)29-21-30-33(40)23-34(41-35(30)22-32(29)39)26-16-11-17-27(20-26)38-43-36(24-12-5-3-6-13-24)42-37(44-38)25-14-7-4-8-15-25;1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20;1-18(2)13-6-4-3-5-10(13)11-7-12-15(19)9-17(20)21-16(12)8-14(11)18;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;;/h3-30H,1-2H3;3-23H,1-2H3;5-18H,1-4H3;3-9H,1-2H3;1-7,12-13H;2*1H4
InChIKeyFXZVNNCNFVEUCP-UHFFFAOYSA-N
MW2219.59 g/mol
LogP35.07
Rot. Bonds14

About 4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid

4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid (PubChem CID 158176014) has the molecular formula C145H117B2Cl3N12O4 and a molecular weight of 2219.59 g/mol. Its IUPAC name is 4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid.

Molecular Properties

Compound Name4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid
PubChem CID158176014
Molecular FormulaC145H117B2Cl3N12O4
Molecular Weight2219.59 g/mol
Exact Mass2216.86
IUPAC Name4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid
SMILESC.C.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.CC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc3cc21.CC1(C)c2ccccc2-c2cc3c(Cl)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc3cc21.CC1(C)c2ccccc2-c2cc3c(Cl)cc(Cl)nc3cc21.OB(O)c1ccc2ccccc2c1
InChIInChI=1S/C49H34N4.C39H27ClN4.C27H26BN3O2.C18H13Cl2N.C10H9BO2.2CH4/c1-49(2)42-23-12-11-22-38(42)40-28-41-39(35-25-24-31-14-9-10-19-34(31)26-35)29-44(50-45(41)30-43(40)49)36-20-13-21-37(27-36)48-52-46(32-15-5-3-6-16-32)51-47(53-48)33-17-7-4-8-18-33;1-39(2)31-19-10-9-18-28(31)29-21-30-33(40)23-34(41-35(30)22-32(29)39)26-16-11-17-27(20-26)38-43-36(24-12-5-3-6-13-24)42-37(44-38)25-14-7-4-8-15-25;1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20;1-18(2)13-6-4-3-5-10(13)11-7-12-15(19)9-17(20)21-16(12)8-14(11)18;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;;/h3-30H,1-2H3;3-23H,1-2H3;5-18H,1-4H3;3-9H,1-2H3;1-7,12-13H;2*1H4
InChIKeyFXZVNNCNFVEUCP-UHFFFAOYSA-N
XLogP35.07
TPSA213.60 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.59
LogP ≤ 535.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid with MolForge

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Related Compounds

2-Bromo-7-chloro-9,9-difluorofluorene;6-(7-chloro-9,9-difluorofluoren-2-yl)phenanthridine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenanthridine;phenanthridin-6-ylboronic acid
CID 161119540
3-[3-[4-[3-(9,9-Dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine
CID 129200938
4-Chloro-10,10-dimethyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline
CID 137437838
4-Chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline
CID 137438130
4-Chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline
CID 146594805
7-[4-[4-[3-(7,7-Dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline
CID 146594852
4-Chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 157131572
4-Chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane
CID 157217989
10,10-Dimethyl-4-naphthalen-2-yl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline;10,10-dimethyl-2-(3-phenylphenyl)-4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[1,2-g]quinoline;4-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-2-naphthalen-2-ylindeno[1,2-g]quinoline
CID 157244112
CID 157285214
CID 157285214
2-Chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten
CID 157289410
2-Chloro-4-phenylquinazoline;4-phenyl-2-spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylquinazoline;4,4,5,5-tetramethyl-2-spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane
CID 157519751

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid?
The IUPAC name of 4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid (CID 158176014) is 4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid.
What is the SMILES notation for 4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid?
The canonical SMILES for 4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid is C.C.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.CC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc3cc21.CC1(C)c2ccccc2-c2cc3c(Cl)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc3cc21.CC1(C)c2ccccc2-c2cc3c(Cl)cc(Cl)nc3cc21.OB(O)c1ccc2ccccc2c1.
What is the InChIKey of 4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid?
The InChIKey is FXZVNNCNFVEUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4.C39H27ClN4.C27H26BN3O2.C18H13Cl2N.C10H9BO2.2CH4/c1-49(2)42-23-12-11-22-38(42)40-28-41-39(35-25-24-31-14-9-10-19-34(31)26-35)29-44(50-45(41)30-43(40)49)36-20-13-21-37(27-36)48-52-46(32-15-5-3-6-16-32)51-47(53-48)33-17-7-4-8-18-33;1-39(2)31-19-10-9-18-28(31)29-21-30-33(40)23-34(41-35(30)22-32(29)39)26-16-11-17-27(20-26)38-43-36(24-12-5-3-6-13-24)42-37(44-38)25-14-7-4-8-15-25;1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20;1-18(2)13-6-4-3-5-10(13)11-7-12-15(19)9-17(20)21-16(12)8-14(11)18;12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;;/h3-30H,1-2H3;3-23H,1-2H3;5-18H,1-4H3;3-9H,1-2H3;1-7,12-13H;2*1H4.
What are the key properties of 4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid?
4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid has a molecular weight of 2219.59 g/mol, XLogP of 35.07, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylindeno[1,2-g]quinoline;2,4-dichloro-10,10-dimethylindeno[1,2-g]quinoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline;methane;naphthalen-2-ylboronic acid is sourced from PubChem (CID 158176014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).