7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane

C236H164F6N10O2Si4 — CID 158374257

IUPAC7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3c2cnc2ccccc23)cc1.C[Si](C)(C)c1ccc(-c2c3ccccc3c(-c3ccc([Si](C)(C)C)cc3)c3c2cnc2ccccc23)cc1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3c2cnc2ccccc23)cc1.N#Cc1ccc(-c2c3ccccc3c(-c3ccc(C#N)cc3)c3c2cnc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4c3cnc3ccccc34)cc2)cc1.c1ccc2c(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4c3cnc3ccccc34)c3ccccc3nc2c1
InChIInChI=1S/C65H47NSi2.C43H25N3.C35H35NSi2.C31H17F6N.C31H17N3.C31H23NO2/c1-7-23-50(24-8-1)67(51-25-9-2-10-26-51,52-27-11-3-12-28-52)56-43-39-48(40-44-56)63-58-35-19-20-36-59(58)64(65-60-37-21-22-38-62(60)66-47-61(63)65)49-41-45-57(46-42-49)68(53-29-13-4-14-30-53,54-31-15-5-16-32-54)55-33-17-6-18-34-55;1-2-14-27-26(13-1)39(40-29-16-4-9-21-35(29)45-36-22-10-5-17-30(36)40)33-25-44-34-20-8-3-15-28(34)42(33)43(27)41-31-18-6-11-23-37(31)46-38-24-12-7-19-32(38)41;1-37(2,3)26-19-15-24(16-20-26)33-28-11-7-8-12-29(28)34(25-17-21-27(22-18-25)38(4,5)6)35-30-13-9-10-14-32(30)36-23-31(33)35;32-30(33,34)20-13-9-18(10-14-20)27-22-5-1-2-6-23(22)28(19-11-15-21(16-12-19)31(35,36)37)29-24-7-3-4-8-26(24)38-17-25(27)29;32-17-20-9-13-22(14-10-20)29-24-5-1-2-6-25(24)30(23-15-11-21(18-33)12-16-23)31-26-7-3-4-8-28(26)34-19-27(29)31;1-33-22-15-11-20(12-16-22)29-24-7-3-4-8-25(24)30(21-13-17-23(34-2)18-14-21)31-26-9-5-6-10-28(26)32-19-27(29)31/h1-47H;1-25H;7-23H,1-6H3;1-17H;1-16,19H;3-19H,1-2H3
InChIKeyGUZRBFAECNHULZ-UHFFFAOYSA-N
MW3398.31 g/mol
LogP56.30
Rot. Bonds24

About 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane

7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane (PubChem CID 158374257) has the molecular formula C236H164F6N10O2Si4 and a molecular weight of 3398.31 g/mol. Its IUPAC name is 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane.

Molecular Properties

Compound Name7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane
PubChem CID158374257
Molecular FormulaC236H164F6N10O2Si4
Molecular Weight3398.31 g/mol
Exact Mass3395.20
IUPAC Name7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3c2cnc2ccccc23)cc1.C[Si](C)(C)c1ccc(-c2c3ccccc3c(-c3ccc([Si](C)(C)C)cc3)c3c2cnc2ccccc23)cc1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3c2cnc2ccccc23)cc1.N#Cc1ccc(-c2c3ccccc3c(-c3ccc(C#N)cc3)c3c2cnc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4c3cnc3ccccc34)cc2)cc1.c1ccc2c(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4c3cnc3ccccc34)c3ccccc3nc2c1
InChIInChI=1S/C65H47NSi2.C43H25N3.C35H35NSi2.C31H17F6N.C31H17N3.C31H23NO2/c1-7-23-50(24-8-1)67(51-25-9-2-10-26-51,52-27-11-3-12-28-52)56-43-39-48(40-44-56)63-58-35-19-20-36-59(58)64(65-60-37-21-22-38-62(60)66-47-61(63)65)49-41-45-57(46-42-49)68(53-29-13-4-14-30-53,54-31-15-5-16-32-54)55-33-17-6-18-34-55;1-2-14-27-26(13-1)39(40-29-16-4-9-21-35(29)45-36-22-10-5-17-30(36)40)33-25-44-34-20-8-3-15-28(34)42(33)43(27)41-31-18-6-11-23-37(31)46-38-24-12-7-19-32(38)41;1-37(2,3)26-19-15-24(16-20-26)33-28-11-7-8-12-29(28)34(25-17-21-27(22-18-25)38(4,5)6)35-30-13-9-10-14-32(30)36-23-31(33)35;32-30(33,34)20-13-9-18(10-14-20)27-22-5-1-2-6-23(22)28(19-11-15-21(16-12-19)31(35,36)37)29-24-7-3-4-8-26(24)38-17-25(27)29;32-17-20-9-13-22(14-10-20)29-24-5-1-2-6-25(24)30(23-15-11-21(18-33)12-16-23)31-26-7-3-4-8-28(26)34-19-27(29)31;1-33-22-15-11-20(12-16-22)29-24-7-3-4-8-25(24)30(21-13-17-23(34-2)18-14-21)31-26-9-5-6-10-28(26)32-19-27(29)31/h1-47H;1-25H;7-23H,1-6H3;1-17H;1-16,19H;3-19H,1-2H3
InChIKeyGUZRBFAECNHULZ-UHFFFAOYSA-N
XLogP56.30
TPSA169.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms258
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003398.31
LogP ≤ 556.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane?
The IUPAC name of 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane (CID 158374257) is 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane.
What is the SMILES notation for 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane?
The canonical SMILES for 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane is COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3c2cnc2ccccc23)cc1.C[Si](C)(C)c1ccc(-c2c3ccccc3c(-c3ccc([Si](C)(C)C)cc3)c3c2cnc2ccccc23)cc1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3c2cnc2ccccc23)cc1.N#Cc1ccc(-c2c3ccccc3c(-c3ccc(C#N)cc3)c3c2cnc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4c3cnc3ccccc34)cc2)cc1.c1ccc2c(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4c3cnc3ccccc34)c3ccccc3nc2c1.
What is the InChIKey of 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane?
The InChIKey is GUZRBFAECNHULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47NSi2.C43H25N3.C35H35NSi2.C31H17F6N.C31H17N3.C31H23NO2/c1-7-23-50(24-8-1)67(51-25-9-2-10-26-51,52-27-11-3-12-28-52)56-43-39-48(40-44-56)63-58-35-19-20-36-59(58)64(65-60-37-21-22-38-62(60)66-47-61(63)65)49-41-45-57(46-42-49)68(53-29-13-4-14-30-53,54-31-15-5-16-32-54)55-33-17-6-18-34-55;1-2-14-27-26(13-1)39(40-29-16-4-9-21-35(29)45-36-22-10-5-17-30(36)40)33-25-44-34-20-8-3-15-28(34)42(33)43(27)41-31-18-6-11-23-37(31)46-38-24-12-7-19-32(38)41;1-37(2,3)26-19-15-24(16-20-26)33-28-11-7-8-12-29(28)34(25-17-21-27(22-18-25)38(4,5)6)35-30-13-9-10-14-32(30)36-23-31(33)35;32-30(33,34)20-13-9-18(10-14-20)27-22-5-1-2-6-23(22)28(19-11-15-21(16-12-19)31(35,36)37)29-24-7-3-4-8-26(24)38-17-25(27)29;32-17-20-9-13-22(14-10-20)29-24-5-1-2-6-25(24)30(23-15-11-21(18-33)12-16-23)31-26-7-3-4-8-28(26)34-19-27(29)31;1-33-22-15-11-20(12-16-22)29-24-7-3-4-8-25(24)30(21-13-17-23(34-2)18-14-21)31-26-9-5-6-10-28(26)32-19-27(29)31/h1-47H;1-25H;7-23H,1-6H3;1-17H;1-16,19H;3-19H,1-2H3.
What are the key properties of 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane?
7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane has a molecular weight of 3398.31 g/mol, XLogP of 56.30, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine;7,12-bis[4-(trifluoromethyl)phenyl]benzo[j]phenanthridine;4-[12-(4-cyanophenyl)benzo[j]phenanthridin-7-yl]benzonitrile;7,12-di(acridin-9-yl)benzo[j]phenanthridine;trimethyl-[4-[7-(4-trimethylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane;triphenyl-[4-[7-(4-triphenylsilylphenyl)benzo[j]phenanthridin-12-yl]phenyl]silane is sourced from PubChem (CID 158374257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).