2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline

C96H58N10 — CID 165080275

IUPAC2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc(-c8ccc9ccc(-c%10cnc%11ccccc%11c%10)nc9c8)nc7c6)c5)nc4c3n2)cc1.c1ccc2ncc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)cc6n5)cc4n3)cc2c1
InChIInChI=1S/C51H31N5.C45H27N5/c1-2-7-32(8-3-1)44-25-21-35-15-16-36-22-26-46(56-51(36)50(35)55-44)40-11-6-10-37(27-40)38-17-13-33-19-23-45(53-48(33)29-38)41-18-14-34-20-24-47(54-49(34)30-41)42-28-39-9-4-5-12-43(39)52-31-42;1-2-6-38-35(4-1)24-37(27-47-38)41-21-18-31-12-16-36(26-43(31)49-41)40-20-17-30-11-15-34(25-42(30)48-40)28-7-9-29(10-8-28)39-22-19-33-14-13-32-5-3-23-46-44(32)45(33)50-39/h1-31H;1-27H
InChIKeyUZONJMFSQHHFKK-UHFFFAOYSA-N
MW1351.59 g/mol
LogP23.86
Rot. Bonds9

About 2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline

2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline (PubChem CID 165080275) has the molecular formula C96H58N10 and a molecular weight of 1351.59 g/mol. Its IUPAC name is 2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
PubChem CID165080275
Molecular FormulaC96H58N10
Molecular Weight1351.59 g/mol
Exact Mass1350.48
IUPAC Name2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc(-c8ccc9ccc(-c%10cnc%11ccccc%11c%10)nc9c8)nc7c6)c5)nc4c3n2)cc1.c1ccc2ncc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)cc6n5)cc4n3)cc2c1
InChIInChI=1S/C51H31N5.C45H27N5/c1-2-7-32(8-3-1)44-25-21-35-15-16-36-22-26-46(56-51(36)50(35)55-44)40-11-6-10-37(27-40)38-17-13-33-19-23-45(53-48(33)29-38)41-18-14-34-20-24-47(54-49(34)30-41)42-28-39-9-4-5-12-43(39)52-31-42;1-2-6-38-35(4-1)24-37(27-47-38)41-21-18-31-12-16-36(26-43(31)49-41)40-20-17-30-11-15-34(25-42(30)48-40)28-7-9-29(10-8-28)39-22-19-33-14-13-32-5-3-23-46-44(32)45(33)50-39/h1-31H;1-27H
InChIKeyUZONJMFSQHHFKK-UHFFFAOYSA-N
XLogP23.86
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.59
LogP ≤ 523.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline with MolForge

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Related Compounds

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-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023081
2-[3,5-di(quinolin-3-yl)phenyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-[2-(3-quinolin-3-ylphenyl)quinolin-7-yl]quinoline;2-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]-1,10-phenanthroline
CID 165071745
2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023263
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164780822
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-[4-[7-[2-(3,5-diphenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-[2-(3-phenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 164989934
2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-(4,6-dipyridin-3-ylpyrimidin-2-yl)-7-(2-phenylquinolin-7-yl)quinoline
CID 164962831
2-[3,5-di(quinolin-3-yl)phenyl]-6-(2-phenylquinolin-7-yl)quinoline
CID 155023055
2-phenyl-9-[4-[2-(2-pyrimidin-2-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 164779363

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline (CID 165080275) is 2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc(-c8ccc9ccc(-c%10cnc%11ccccc%11c%10)nc9c8)nc7c6)c5)nc4c3n2)cc1.c1ccc2ncc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)cc6n5)cc4n3)cc2c1.
What is the InChIKey of 2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline?
The InChIKey is UZONJMFSQHHFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5.C45H27N5/c1-2-7-32(8-3-1)44-25-21-35-15-16-36-22-26-46(56-51(36)50(35)55-44)40-11-6-10-37(27-40)38-17-13-33-19-23-45(53-48(33)29-38)41-18-14-34-20-24-47(54-49(34)30-41)42-28-39-9-4-5-12-43(39)52-31-42;1-2-6-38-35(4-1)24-37(27-47-38)41-21-18-31-12-16-36(26-43(31)49-41)40-20-17-30-11-15-34(25-42(30)48-40)28-7-9-29(10-8-28)39-22-19-33-14-13-32-5-3-23-46-44(32)45(33)50-39/h1-31H;1-27H.
What are the key properties of 2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline?
2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline has a molecular weight of 1351.59 g/mol, XLogP of 23.86, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 165080275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).