2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

C98H58N10 — CID 159634486

IUPAC2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
SMILESc1ccc2c(-c3ccc4cc(-c5ccc6nc(-c7c8ccccc8c(-c8ccc9ccc%10cccnc%10c9n8)c8ccccc78)ccc6c5)ccc4n3)cncc2c1.c1ccc2nc(-c3ccc4cc(-c5ccc6nc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)ccc6c5)ccc4n3)ccc2c1
InChIInChI=1S/C53H31N5.C45H27N5/c1-2-10-39-38(8-1)30-54-31-44(39)47-24-20-36-28-34(18-22-45(36)56-47)35-19-23-46-37(29-35)21-26-48(57-46)50-40-11-3-5-13-42(40)51(43-14-6-4-12-41(43)50)49-25-17-33-16-15-32-9-7-27-55-52(32)53(33)58-49;1-2-6-37-28(4-1)13-23-42(48-37)43-24-18-36-27-34(16-21-41(36)49-43)33-15-20-40-35(26-33)17-22-38(47-40)29-7-9-30(10-8-29)39-19-14-32-12-11-31-5-3-25-46-44(31)45(32)50-39/h1-31H;1-27H
InChIKeyMPOGJBYANIFWFD-UHFFFAOYSA-N
MW1375.61 g/mol
LogP24.50
Rot. Bonds8

About 2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 159634486) has the molecular formula C98H58N10 and a molecular weight of 1375.61 g/mol. Its IUPAC name is 2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
PubChem CID159634486
Molecular FormulaC98H58N10
Molecular Weight1375.61 g/mol
Exact Mass1374.48
IUPAC Name2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
SMILESc1ccc2c(-c3ccc4cc(-c5ccc6nc(-c7c8ccccc8c(-c8ccc9ccc%10cccnc%10c9n8)c8ccccc78)ccc6c5)ccc4n3)cncc2c1.c1ccc2nc(-c3ccc4cc(-c5ccc6nc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)ccc6c5)ccc4n3)ccc2c1
InChIInChI=1S/C53H31N5.C45H27N5/c1-2-10-39-38(8-1)30-54-31-44(39)47-24-20-36-28-34(18-22-45(36)56-47)35-19-23-46-37(29-35)21-26-48(57-46)50-40-11-3-5-13-42(40)51(43-14-6-4-12-41(43)50)49-25-17-33-16-15-32-9-7-27-55-52(32)53(33)58-49;1-2-6-37-28(4-1)13-23-42(48-37)43-24-18-36-27-34(16-21-41(36)49-43)33-15-20-40-35(26-33)17-22-38(47-40)29-7-9-30(10-8-29)39-19-14-32-12-11-31-5-3-25-46-44(31)45(32)50-39/h1-31H;1-27H
InChIKeyMPOGJBYANIFWFD-UHFFFAOYSA-N
XLogP24.50
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001375.61
LogP ≤ 524.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline with MolForge

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Related Compounds

2-[4-[7-(2-isoquinolin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 164780625
2-[7-[2-[4-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline
CID 164780762
2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 129208813
2-[10-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[6-[6-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 159792615
2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
CID 165036235
2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023263
2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164982602
2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
CID 165008986
2-[4-[6-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023293
5-[4-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780665
2-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 164780676
2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 161400463

Frequently Asked Questions

What is the IUPAC name of 2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 159634486) is 2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc2c(-c3ccc4cc(-c5ccc6nc(-c7c8ccccc8c(-c8ccc9ccc%10cccnc%10c9n8)c8ccccc78)ccc6c5)ccc4n3)cncc2c1.c1ccc2nc(-c3ccc4cc(-c5ccc6nc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)ccc6c5)ccc4n3)ccc2c1.
What is the InChIKey of 2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?
The InChIKey is MPOGJBYANIFWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N5.C45H27N5/c1-2-10-39-38(8-1)30-54-31-44(39)47-24-20-36-28-34(18-22-45(36)56-47)35-19-23-46-37(29-35)21-26-48(57-46)50-40-11-3-5-13-42(40)51(43-14-6-4-12-41(43)50)49-25-17-33-16-15-32-9-7-27-55-52(32)53(33)58-49;1-2-6-37-28(4-1)13-23-42(48-37)43-24-18-36-27-34(16-21-41(36)49-43)33-15-20-40-35(26-33)17-22-38(47-40)29-7-9-30(10-8-29)39-19-14-32-12-11-31-5-3-25-46-44(31)45(32)50-39/h1-31H;1-27H.
What are the key properties of 2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?
2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 1375.61 g/mol, XLogP of 24.50, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[6-(2-isoquinolin-4-ylquinolin-6-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[6-(2-quinolin-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 159634486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).