3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole

C172H110N12O4 — CID 158482462

IUPAC3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3c4ccccc4cc4ccccc34)c3ccccc23)cc1.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cnc(-c3c4ccccc4cc4ccccc34)c3ccccc23)cc1.c1ccc2c(-c3cnc(-n4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc5c6ccccc6c6ccccc6c54)c4ncccc34)c3ccccc3cc2c1
InChIInChI=1S/C59H39N3O2.C58H38N4O2.C55H33N5/c1-63-40-27-30-54-51(34-40)52-35-41(64-2)28-31-55(52)61(54)39-25-23-36(24-26-39)59-60-57-49-21-11-8-17-44(49)45-18-9-12-22-50(45)58(57)62(59)53-32-29-48(46-19-7-10-20-47(46)53)56-42-15-5-3-13-37(42)33-38-14-4-6-16-43(38)56;1-63-39-27-29-51-49(32-39)50-33-40(64-2)28-30-52(50)61(51)38-25-23-35(24-26-38)58-60-56-46-20-10-7-17-43(46)44-18-8-12-22-48(44)57(56)62(58)53-34-59-55(47-21-11-9-19-45(47)53)54-41-15-5-3-13-36(41)31-37-14-4-6-16-42(37)54;1-3-16-38-35(14-1)32-36-15-2-4-17-39(36)50(38)47-33-57-55(52-45(47)24-13-31-56-52)60-53-46-23-8-6-19-41(46)40-18-5-7-22-44(40)51(53)58-54(60)34-27-29-37(30-28-34)59-48-25-11-9-20-42(48)43-21-10-12-26-49(43)59/h3-35H,1-2H3;3-34H,1-2H3;1-33H
InChIKeyHHRLSJYENWZIPR-UHFFFAOYSA-N
MW2408.85 g/mol
LogP43.89
Rot. Bonds16

About 3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole

3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole (PubChem CID 158482462) has the molecular formula C172H110N12O4 and a molecular weight of 2408.85 g/mol. Its IUPAC name is 3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole
PubChem CID158482462
Molecular FormulaC172H110N12O4
Molecular Weight2408.85 g/mol
Exact Mass2406.88
IUPAC Name3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3c4ccccc4cc4ccccc34)c3ccccc23)cc1.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cnc(-c3c4ccccc4cc4ccccc34)c3ccccc23)cc1.c1ccc2c(-c3cnc(-n4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc5c6ccccc6c6ccccc6c54)c4ncccc34)c3ccccc3cc2c1
InChIInChI=1S/C59H39N3O2.C58H38N4O2.C55H33N5/c1-63-40-27-30-54-51(34-40)52-35-41(64-2)28-31-55(52)61(54)39-25-23-36(24-26-39)59-60-57-49-21-11-8-17-44(49)45-18-9-12-22-50(45)58(57)62(59)53-32-29-48(46-19-7-10-20-47(46)53)56-42-15-5-3-13-37(42)33-38-14-4-6-16-43(38)56;1-63-39-27-29-51-49(32-39)50-33-40(64-2)28-30-52(50)61(51)38-25-23-35(24-26-38)58-60-56-46-20-10-7-17-43(46)44-18-8-12-22-48(44)57(56)62(58)53-34-59-55(47-21-11-9-19-45(47)53)54-41-15-5-3-13-36(41)31-37-14-4-6-16-42(37)54;1-3-16-38-35(14-1)32-36-15-2-4-17-39(36)50(38)47-33-57-55(52-45(47)24-13-31-56-52)60-53-46-23-8-6-19-41(46)40-18-5-7-22-44(40)51(53)58-54(60)34-27-29-37(30-28-34)59-48-25-11-9-20-42(48)43-21-10-12-26-49(43)59/h3-35H,1-2H3;3-34H,1-2H3;1-33H
InChIKeyHHRLSJYENWZIPR-UHFFFAOYSA-N
XLogP43.89
TPSA143.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002408.85
LogP ≤ 543.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole?
The IUPAC name of 3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole (CID 158482462) is 3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole.
What is the SMILES notation for 3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole?
The canonical SMILES for 3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3c4ccccc4cc4ccccc34)c3ccccc23)cc1.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cnc(-c3c4ccccc4cc4ccccc34)c3ccccc23)cc1.c1ccc2c(-c3cnc(-n4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc5c6ccccc6c6ccccc6c54)c4ncccc34)c3ccccc3cc2c1.
What is the InChIKey of 3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole?
The InChIKey is HHRLSJYENWZIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3O2.C58H38N4O2.C55H33N5/c1-63-40-27-30-54-51(34-40)52-35-41(64-2)28-31-55(52)61(54)39-25-23-36(24-26-39)59-60-57-49-21-11-8-17-44(49)45-18-9-12-22-50(45)58(57)62(59)53-32-29-48(46-19-7-10-20-47(46)53)56-42-15-5-3-13-37(42)33-38-14-4-6-16-43(38)56;1-63-39-27-29-51-49(32-39)50-33-40(64-2)28-30-52(50)61(51)38-25-23-35(24-26-38)58-60-56-46-20-10-7-17-43(46)44-18-8-12-22-48(44)57(56)62(58)53-34-59-55(47-21-11-9-19-45(47)53)54-41-15-5-3-13-36(41)31-37-14-4-6-16-42(37)54;1-3-16-38-35(14-1)32-36-15-2-4-17-39(36)50(38)47-33-57-55(52-45(47)24-13-31-56-52)60-53-46-23-8-6-19-41(46)40-18-5-7-22-44(40)51(53)58-54(60)34-27-29-37(30-28-34)59-48-25-11-9-20-42(48)43-21-10-12-26-49(43)59/h3-35H,1-2H3;3-34H,1-2H3;1-33H.
What are the key properties of 3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole?
3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole has a molecular weight of 2408.85 g/mol, XLogP of 43.89, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-anthracen-9-ylisoquinolin-4-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(4-anthracen-9-ylnaphthalen-1-yl)-2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]phenanthro[9,10-d]imidazole;3-(5-anthracen-9-yl-1,7-naphthyridin-8-yl)-2-(4-carbazol-9-ylphenyl)phenanthro[9,10-d]imidazole is sourced from PubChem (CID 158482462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).