2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline

C94H56N6 — CID 134176196

IUPAC2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccc4ccccc4c3n2)cc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c(-c8cc9ccc(-c%10cccc(-c%11ccc%12ccccc%12c%11)c%10)nc9c9nc(-c%10cccc(-c%11ccc%12ccc%13ccccc%13c%12n%11)c%10)ccc89)cccc67)cc5)nc4c3n2)c1
InChIInChI=1S/C94H56N6/c1-2-15-66-52-68(39-28-57(66)12-1)67-16-7-17-69(53-67)87-50-44-74-56-82(81-45-51-88(100-94(81)93(74)99-87)73-21-9-19-71(55-73)85-48-41-63-36-32-59-14-4-6-23-77(59)90(63)96-85)80-27-11-25-78-75(24-10-26-79(78)80)60-29-33-61(34-30-60)83-46-42-64-37-38-65-43-49-86(98-92(65)91(64)97-83)72-20-8-18-70(54-72)84-47-40-62-35-31-58-13-3-5-22-76(58)89(62)95-84/h1-56H
InChIKeyFKCNTTYJUKKLIN-UHFFFAOYSA-N
MW1269.52 g/mol
LogP24.59
Rot. Bonds9

About 2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline

2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline (PubChem CID 134176196) has the molecular formula C94H56N6 and a molecular weight of 1269.52 g/mol. Its IUPAC name is 2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline
PubChem CID134176196
Molecular FormulaC94H56N6
Molecular Weight1269.52 g/mol
Exact Mass1268.46
IUPAC Name2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccc4ccccc4c3n2)cc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c(-c8cc9ccc(-c%10cccc(-c%11ccc%12ccccc%12c%11)c%10)nc9c9nc(-c%10cccc(-c%11ccc%12ccc%13ccccc%13c%12n%11)c%10)ccc89)cccc67)cc5)nc4c3n2)c1
InChIInChI=1S/C94H56N6/c1-2-15-66-52-68(39-28-57(66)12-1)67-16-7-17-69(53-67)87-50-44-74-56-82(81-45-51-88(100-94(81)93(74)99-87)73-21-9-19-71(55-73)85-48-41-63-36-32-59-14-4-6-23-77(59)90(63)96-85)80-27-11-25-78-75(24-10-26-79(78)80)60-29-33-61(34-30-60)83-46-42-64-37-38-65-43-49-86(98-92(65)91(64)97-83)72-20-8-18-70(54-72)84-47-40-62-35-31-58-13-3-5-22-76(58)89(62)95-84/h1-56H
InChIKeyFKCNTTYJUKKLIN-UHFFFAOYSA-N
XLogP24.59
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001269.52
LogP ≤ 524.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline with MolForge

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Related Compounds

2-naphthalen-2-yl-9-[3-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010493
2-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059
2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,9-dinaphthalen-1-yl-1,10-phenanthroline;2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,9-bis(3-phenylphenyl)-1,10-phenanthroline;2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,9-diphenyl-1,10-phenanthroline
CID 158498033
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 138643643
9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
CID 59010374
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445819
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline
CID 134167550
9-naphthalen-1-yl-2-[4-[2-[4-(9-naphthalen-1-ylbenzo[h]quinolin-2-yl)phenyl]phenyl]phenyl]benzo[h]quinoline
CID 59010410

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline (CID 134176196) is 2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline is c1cc(-c2ccc3ccc4ccccc4c3n2)cc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c(-c8cc9ccc(-c%10cccc(-c%11ccc%12ccccc%12c%11)c%10)nc9c9nc(-c%10cccc(-c%11ccc%12ccc%13ccccc%13c%12n%11)c%10)ccc89)cccc67)cc5)nc4c3n2)c1.
What is the InChIKey of 2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline?
The InChIKey is FKCNTTYJUKKLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H56N6/c1-2-15-66-52-68(39-28-57(66)12-1)67-16-7-17-69(53-67)87-50-44-74-56-82(81-45-51-88(100-94(81)93(74)99-87)73-21-9-19-71(55-73)85-48-41-63-36-32-59-14-4-6-23-77(59)90(63)96-85)80-27-11-25-78-75(24-10-26-79(78)80)60-29-33-61(34-30-60)83-46-42-64-37-38-65-43-49-86(98-92(65)91(64)97-83)72-20-8-18-70(54-72)84-47-40-62-35-31-58-13-3-5-22-76(58)89(62)95-84/h1-56H.
What are the key properties of 2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline?
2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline has a molecular weight of 1269.52 g/mol, XLogP of 24.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 134176196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).