2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline

C108H70N4 — CID 159967582

IUPAC2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc5c(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)nc5c5ccccc45)cc3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6ccc7ccccc7n6)cc5)c5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C56H36N2.C52H34N2/c1-3-13-37(14-4-1)47-33-53(41-17-5-2-6-18-41)57-54(34-47)42-27-25-40(26-28-42)50-35-52-51(45-29-23-38-15-7-9-19-43(38)31-45)36-55(58-56(52)49-22-12-11-21-48(49)50)46-30-24-39-16-8-10-20-44(39)32-46;1-3-11-35(12-4-1)37-19-23-40(24-20-37)47-34-51(43-27-21-38(22-28-43)36-13-5-2-6-14-36)54-52-45-17-9-8-16-44(45)46(33-48(47)52)39-25-29-42(30-26-39)50-32-31-41-15-7-10-18-49(41)53-50/h1-36H;1-34H
InChIKeyOEDBQCPPHUAYEJ-UHFFFAOYSA-N
MW1423.78 g/mol
LogP29.03
Rot. Bonds12

About 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline

2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline (PubChem CID 159967582) has the molecular formula C108H70N4 and a molecular weight of 1423.78 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline.

Molecular Properties

Compound Name2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline
PubChem CID159967582
Molecular FormulaC108H70N4
Molecular Weight1423.78 g/mol
Exact Mass1422.56
IUPAC Name2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc5c(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)nc5c5ccccc45)cc3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6ccc7ccccc7n6)cc5)c5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C56H36N2.C52H34N2/c1-3-13-37(14-4-1)47-33-53(41-17-5-2-6-18-41)57-54(34-47)42-27-25-40(26-28-42)50-35-52-51(45-29-23-38-15-7-9-19-43(38)31-45)36-55(58-56(52)49-22-12-11-21-48(49)50)46-30-24-39-16-8-10-20-44(39)32-46;1-3-11-35(12-4-1)37-19-23-40(24-20-37)47-34-51(43-27-21-38(22-28-43)36-13-5-2-6-14-36)54-52-45-17-9-8-16-44(45)46(33-48(47)52)39-25-29-42(30-26-39)50-32-31-41-15-7-10-18-49(41)53-50/h1-36H;1-34H
InChIKeyOEDBQCPPHUAYEJ-UHFFFAOYSA-N
XLogP29.03
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001423.78
LogP ≤ 529.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958913
2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline;2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 158566258
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958981
4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline
CID 70836414
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline
CID 89137414
4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
CID 70958804
2,6-bis(9,9-dimethylfluoren-2-yl)-4-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958731
7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445803
4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89016586
4-[4-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]quinoline
CID 122427626
2-[4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
CID 70958718

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline?
The IUPAC name of 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline (CID 159967582) is 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline.
What is the SMILES notation for 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline?
The canonical SMILES for 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc5c(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)nc5c5ccccc45)cc3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6ccc7ccccc7n6)cc5)c5ccccc5c4n3)cc2)cc1.
What is the InChIKey of 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline?
The InChIKey is OEDBQCPPHUAYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2.C52H34N2/c1-3-13-37(14-4-1)47-33-53(41-17-5-2-6-18-41)57-54(34-47)42-27-25-40(26-28-42)50-35-52-51(45-29-23-38-15-7-9-19-43(38)31-45)36-55(58-56(52)49-22-12-11-21-48(49)50)46-30-24-39-16-8-10-20-44(39)32-46;1-3-11-35(12-4-1)37-19-23-40(24-20-37)47-34-51(43-27-21-38(22-28-43)36-13-5-2-6-14-36)54-52-45-17-9-8-16-44(45)46(33-48(47)52)39-25-29-42(30-26-39)50-32-31-41-15-7-10-18-49(41)53-50/h1-36H;1-34H.
What are the key properties of 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline?
2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline has a molecular weight of 1423.78 g/mol, XLogP of 29.03, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline is sourced from PubChem (CID 159967582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).