5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline

C56H44N4 — CID 90367002

IUPAC5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline
SMILESCC(C)c1cc(-c2cccc(-c3cccnc3)c2)c2cc(-c3ccccc3)c3c4nc(C(C)C)cc(-c5cccc(-c6cccnc6)c5)c4cc(-c4ccccc4)c3c2n1
InChIInChI=1S/C56H44N4/c1-35(2)51-31-45(41-21-11-19-39(27-41)43-23-13-25-57-33-43)49-29-48(38-17-9-6-10-18-38)54-53(55(49)59-51)47(37-15-7-5-8-16-37)30-50-46(32-52(36(3)4)60-56(50)54)42-22-12-20-40(28-42)44-24-14-26-58-34-44/h5-36H,1-4H3
InChIKeyMEEFKVXNBJBCJB-UHFFFAOYSA-N
MW773.00 g/mol
LogP14.98
Rot. Bonds8

About 5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline

5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline (PubChem CID 90367002) has the molecular formula C56H44N4 and a molecular weight of 773.00 g/mol. Its IUPAC name is 5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline.

Molecular Properties

Compound Name5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline
PubChem CID90367002
Molecular FormulaC56H44N4
Molecular Weight773.00 g/mol
Exact Mass772.36
IUPAC Name5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline
SMILESCC(C)c1cc(-c2cccc(-c3cccnc3)c2)c2cc(-c3ccccc3)c3c4nc(C(C)C)cc(-c5cccc(-c6cccnc6)c5)c4cc(-c4ccccc4)c3c2n1
InChIInChI=1S/C56H44N4/c1-35(2)51-31-45(41-21-11-19-39(27-41)43-23-13-25-57-33-43)49-29-48(38-17-9-6-10-18-38)54-53(55(49)59-51)47(37-15-7-5-8-16-37)30-50-46(32-52(36(3)4)60-56(50)54)42-22-12-20-40(28-42)44-24-14-26-58-34-44/h5-36H,1-4H3
InChIKeyMEEFKVXNBJBCJB-UHFFFAOYSA-N
XLogP14.98
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.00
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3,6,8-tris(3-phenylphenyl)pyren-1-yl]pyridine
CID 58924974
3-[3-[9-[3-(2,3,4,5-tetraphenylphenyl)phenyl]pyren-4-yl]phenyl]pyridine
CID 139394574
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline
CID 159526499
5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline
CID 171419209
2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168264
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
2-[3-(6-phenylpyren-1-yl)phenyl]-4-pyridin-3-yl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 118314046
6-phenyl-8-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]benzo[k]phenanthridine
CID 118332209
2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263127
3-(3,5-diphenylphenyl)pyridine
CID 141411458

Frequently Asked Questions

What is the IUPAC name of 5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline?
The IUPAC name of 5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline (CID 90367002) is 5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline.
What is the SMILES notation for 5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline?
The canonical SMILES for 5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline is CC(C)c1cc(-c2cccc(-c3cccnc3)c2)c2cc(-c3ccccc3)c3c4nc(C(C)C)cc(-c5cccc(-c6cccnc6)c5)c4cc(-c4ccccc4)c3c2n1.
What is the InChIKey of 5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline?
The InChIKey is MEEFKVXNBJBCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N4/c1-35(2)51-31-45(41-21-11-19-39(27-41)43-23-13-25-57-33-43)49-29-48(38-17-9-6-10-18-38)54-53(55(49)59-51)47(37-15-7-5-8-16-37)30-50-46(32-52(36(3)4)60-56(50)54)42-22-12-20-40(28-42)44-24-14-26-58-34-44/h5-36H,1-4H3.
What are the key properties of 5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline?
5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline has a molecular weight of 773.00 g/mol, XLogP of 14.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-diphenyl-3,9-di(propan-2-yl)-1,7-bis(3-pyridin-3-ylphenyl)quinolino[8,7-h]quinoline is sourced from PubChem (CID 90367002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).