5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine

C192H136F6N14O2 — CID 159342575

IUPAC5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3cnccc23)cc1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3cnccc23)cc1.N#Cc1ccc(-c2c3ccccc3c(-c3ccc(C#N)cc3)c3cnccc23)cc1.c1ccc2c(c1)CCCN2c1c2ccccc2c(N2CCCc3ccccc32)c2cnccc12.c1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2c(N2c3ccccc3CCc3ccccc32)c2cnccc12.c1ccc2c(c1)Cc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Cc3ccccc32)c2cnccc12
InChIInChI=1S/C41H31N3.C39H27N3.C31H27N3.C27H15F6N.C27H15N3.C27H21NO2/c1-7-17-36-28(11-1)21-22-29-12-2-8-18-37(29)43(36)40-32-15-5-6-16-33(32)41(35-27-42-26-25-34(35)40)44-38-19-9-3-13-30(38)23-24-31-14-4-10-20-39(31)44;1-7-17-34-26(11-1)23-27-12-2-8-18-35(27)41(34)38-30-15-5-6-16-31(30)39(33-25-40-22-21-32(33)38)42-36-19-9-3-13-28(36)24-29-14-4-10-20-37(29)42;1-5-15-28-22(9-1)11-7-19-33(28)30-24-13-3-4-14-25(24)31(27-21-32-18-17-26(27)30)34-20-8-12-23-10-2-6-16-29(23)34;28-26(29,30)18-9-5-16(6-10-18)24-20-3-1-2-4-21(20)25(23-15-34-14-13-22(23)24)17-7-11-19(12-8-17)27(31,32)33;28-15-18-5-9-20(10-6-18)26-22-3-1-2-4-23(22)27(25-17-30-14-13-24(25)26)21-11-7-19(16-29)8-12-21;1-29-20-11-7-18(8-12-20)26-22-5-3-4-6-23(22)27(25-17-28-16-15-24(25)26)19-9-13-21(30-2)14-10-19/h1-20,25-27H,21-24H2;1-22,25H,23-24H2;1-6,9-10,13-18,21H,7-8,11-12,19-20H2;1-15H;1-14,17H;3-17H,1-2H3
InChIKeyLGHUZBLKGJJWSW-UHFFFAOYSA-N
MW2785.28 g/mol
LogP50.18
Rot. Bonds14

About 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine

5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 159342575) has the molecular formula C192H136F6N14O2 and a molecular weight of 2785.28 g/mol. Its IUPAC name is 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID159342575
Molecular FormulaC192H136F6N14O2
Molecular Weight2785.28 g/mol
Exact Mass2783.09
IUPAC Name5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3cnccc23)cc1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3cnccc23)cc1.N#Cc1ccc(-c2c3ccccc3c(-c3ccc(C#N)cc3)c3cnccc23)cc1.c1ccc2c(c1)CCCN2c1c2ccccc2c(N2CCCc3ccccc32)c2cnccc12.c1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2c(N2c3ccccc3CCc3ccccc32)c2cnccc12.c1ccc2c(c1)Cc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Cc3ccccc32)c2cnccc12
InChIInChI=1S/C41H31N3.C39H27N3.C31H27N3.C27H15F6N.C27H15N3.C27H21NO2/c1-7-17-36-28(11-1)21-22-29-12-2-8-18-37(29)43(36)40-32-15-5-6-16-33(32)41(35-27-42-26-25-34(35)40)44-38-19-9-3-13-30(38)23-24-31-14-4-10-20-39(31)44;1-7-17-34-26(11-1)23-27-12-2-8-18-35(27)41(34)38-30-15-5-6-16-31(30)39(33-25-40-22-21-32(33)38)42-36-19-9-3-13-28(36)24-29-14-4-10-20-37(29)42;1-5-15-28-22(9-1)11-7-19-33(28)30-24-13-3-4-14-25(24)31(27-21-32-18-17-26(27)30)34-20-8-12-23-10-2-6-16-29(23)34;28-26(29,30)18-9-5-16(6-10-18)24-20-3-1-2-4-21(20)25(23-15-34-14-13-22(23)24)17-7-11-19(12-8-17)27(31,32)33;28-15-18-5-9-20(10-6-18)26-22-3-1-2-4-23(22)27(25-17-30-14-13-24(25)26)21-11-7-19(16-29)8-12-21;1-29-20-11-7-18(8-12-20)26-22-5-3-4-6-23(22)27(25-17-28-16-15-24(25)26)19-9-13-21(30-2)14-10-19/h1-20,25-27H,21-24H2;1-22,25H,23-24H2;1-6,9-10,13-18,21H,7-8,11-12,19-20H2;1-15H;1-14,17H;3-17H,1-2H3
InChIKeyLGHUZBLKGJJWSW-UHFFFAOYSA-N
XLogP50.18
TPSA162.82 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms214
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002785.28
LogP ≤ 550.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine (CID 159342575) is 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine is COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3cnccc23)cc1.FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3cnccc23)cc1.N#Cc1ccc(-c2c3ccccc3c(-c3ccc(C#N)cc3)c3cnccc23)cc1.c1ccc2c(c1)CCCN2c1c2ccccc2c(N2CCCc3ccccc32)c2cnccc12.c1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2c(N2c3ccccc3CCc3ccccc32)c2cnccc12.c1ccc2c(c1)Cc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Cc3ccccc32)c2cnccc12.
What is the InChIKey of 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is LGHUZBLKGJJWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3.C39H27N3.C31H27N3.C27H15F6N.C27H15N3.C27H21NO2/c1-7-17-36-28(11-1)21-22-29-12-2-8-18-37(29)43(36)40-32-15-5-6-16-33(32)41(35-27-42-26-25-34(35)40)44-38-19-9-3-13-30(38)23-24-31-14-4-10-20-39(31)44;1-7-17-34-26(11-1)23-27-12-2-8-18-35(27)41(34)38-30-15-5-6-16-31(30)39(33-25-40-22-21-32(33)38)42-36-19-9-3-13-28(36)24-29-14-4-10-20-37(29)42;1-5-15-28-22(9-1)11-7-19-33(28)30-24-13-3-4-14-25(24)31(27-21-32-18-17-26(27)30)34-20-8-12-23-10-2-6-16-29(23)34;28-26(29,30)18-9-5-16(6-10-18)24-20-3-1-2-4-21(20)25(23-15-34-14-13-22(23)24)17-7-11-19(12-8-17)27(31,32)33;28-15-18-5-9-20(10-6-18)26-22-3-1-2-4-23(22)27(25-17-30-14-13-24(25)26)21-11-7-19(16-29)8-12-21;1-29-20-11-7-18(8-12-20)26-22-5-3-4-6-23(22)27(25-17-28-16-15-24(25)26)19-9-13-21(30-2)14-10-19/h1-20,25-27H,21-24H2;1-22,25H,23-24H2;1-6,9-10,13-18,21H,7-8,11-12,19-20H2;1-15H;1-14,17H;3-17H,1-2H3.
What are the key properties of 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine?
5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 2785.28 g/mol, XLogP of 50.18, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(9H-acridin-10-yl)benzo[g]isoquinoline;5,10-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[g]isoquinoline;5,10-bis(4-methoxyphenyl)benzo[g]isoquinoline;5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline;4-[10-(4-cyanophenyl)benzo[g]isoquinolin-5-yl]benzonitrile;11-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[g]isoquinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 159342575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).