1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline

C136H88N8 — CID 159276112

IUPAC1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5cccnc45)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5ccncc45)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5cnccc45)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cncc5ccccc45)cc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/4C34H22N2/c1-2-9-26(10-3-1)33-20-30(34-29-13-7-4-8-23(29)18-19-32(34)36-33)24-14-16-25(17-15-24)31-22-35-21-27-11-5-6-12-28(27)31;1-2-9-26(10-3-1)32-22-30(33-28-13-5-4-8-23(28)19-20-31(33)36-32)25-17-15-24(16-18-25)29-14-6-11-27-12-7-21-35-34(27)29;1-2-8-26(9-3-1)33-21-31(34-30-11-5-4-7-23(30)17-18-32(34)36-33)25-15-13-24(14-16-25)28-12-6-10-27-22-35-20-19-29(27)28;1-2-8-27(9-3-1)33-21-30(34-29-11-5-4-7-23(29)17-18-32(34)36-33)26-15-13-25(14-16-26)28-12-6-10-24-19-20-35-22-31(24)28/h4*1-22H
InChIKeyKYIFDGSKHXRLPA-UHFFFAOYSA-N
MW1834.26 g/mol
LogP35.75
Rot. Bonds12

About 1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline

1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline (PubChem CID 159276112) has the molecular formula C136H88N8 and a molecular weight of 1834.26 g/mol. Its IUPAC name is 1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline.

Molecular Properties

Compound Name1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline
PubChem CID159276112
Molecular FormulaC136H88N8
Molecular Weight1834.26 g/mol
Exact Mass1832.71
IUPAC Name1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5cccnc45)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5ccncc45)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5cnccc45)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cncc5ccccc45)cc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/4C34H22N2/c1-2-9-26(10-3-1)33-20-30(34-29-13-7-4-8-23(29)18-19-32(34)36-33)24-14-16-25(17-15-24)31-22-35-21-27-11-5-6-12-28(27)31;1-2-9-26(10-3-1)32-22-30(33-28-13-5-4-8-23(28)19-20-31(33)36-32)25-17-15-24(16-18-25)29-14-6-11-27-12-7-21-35-34(27)29;1-2-8-26(9-3-1)33-21-31(34-30-11-5-4-7-23(30)17-18-32(34)36-33)25-15-13-24(14-16-25)28-12-6-10-27-22-35-20-19-29(27)28;1-2-8-27(9-3-1)33-21-30(34-29-11-5-4-7-23(29)17-18-32(34)36-33)26-15-13-25(14-16-26)28-12-6-10-24-19-20-35-22-31(24)28/h4*1-22H
InChIKeyKYIFDGSKHXRLPA-UHFFFAOYSA-N
XLogP35.75
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001834.26
LogP ≤ 535.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline with MolForge

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Related Compounds

1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-3-phenylbenzo[f]quinoline
CID 138643909
1-[3-(4-isoquinolin-5-ylnaphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline
CID 138643705
2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline
CID 138643771
5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 138644043
8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 169066562
1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
CID 2248804
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
3-[4-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 146185312
3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 138644076
3-[4-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 146185318
1-[4-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185478
4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 160785074

Frequently Asked Questions

What is the IUPAC name of 1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline?
The IUPAC name of 1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline (CID 159276112) is 1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline.
What is the SMILES notation for 1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline?
The canonical SMILES for 1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline is c1ccc(-c2cc(-c3ccc(-c4cccc5cccnc45)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5ccncc45)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5cnccc45)cc3)c3c(ccc4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cncc5ccccc45)cc3)c3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline?
The InChIKey is KYIFDGSKHXRLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C34H22N2/c1-2-9-26(10-3-1)33-20-30(34-29-13-7-4-8-23(29)18-19-32(34)36-33)24-14-16-25(17-15-24)31-22-35-21-27-11-5-6-12-28(27)31;1-2-9-26(10-3-1)32-22-30(33-28-13-5-4-8-23(28)19-20-31(33)36-32)25-17-15-24(16-18-25)29-14-6-11-27-12-7-21-35-34(27)29;1-2-8-26(9-3-1)33-21-31(34-30-11-5-4-7-23(30)17-18-32(34)36-33)25-15-13-24(14-16-25)28-12-6-10-27-22-35-20-19-29(27)28;1-2-8-27(9-3-1)33-21-30(34-29-11-5-4-7-23(29)17-18-32(34)36-33)26-15-13-25(14-16-26)28-12-6-10-24-19-20-35-22-31(24)28/h4*1-22H.
What are the key properties of 1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline?
1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline has a molecular weight of 1834.26 g/mol, XLogP of 35.75, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline is sourced from PubChem (CID 159276112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).