2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline

C147H90N12 — CID 158538042

IUPAC2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
SMILESCc1ccc2ccccc2c1-c1ccc2ccc3ccc(-c4cc(-c5ccc6ccc7ccc(-c8c(C)ccc9ccccc89)nc7c6n5)cc(-c5ccc6ccc7ccc(-c8c(C)ccc9ccccc89)nc7c6n5)c4)nc3c2n1.c1ccc2cc(-c3ccc4ccc5ccc(-c6cc(-c7ccc8ccc9ccc(-c%10ccc%11ccccc%11c%10)nc9c8n7)cc(-c7ccc8ccc9ccc(-c%10ccc%11ccccc%11c%10)nc9c8n7)c6)nc5c4n3)ccc2c1
InChIInChI=1S/C75H48N6.C72H42N6/c1-43-16-19-46-10-4-7-13-58(46)67(43)64-37-31-52-25-22-49-28-34-61(76-70(49)73(52)79-64)55-40-56(62-35-29-50-23-26-53-32-38-65(80-74(53)71(50)77-62)68-44(2)17-20-47-11-5-8-14-59(47)68)42-57(41-55)63-36-30-51-24-27-54-33-39-66(81-75(54)72(51)78-63)69-45(3)18-21-48-12-6-9-15-60(48)69;1-4-10-52-37-55(22-13-43(52)7-1)61-31-25-46-16-19-49-28-34-64(76-70(49)67(46)73-61)58-40-59(65-35-29-50-20-17-47-26-32-62(74-68(47)71(50)77-65)56-23-14-44-8-2-5-11-53(44)38-56)42-60(41-58)66-36-30-51-21-18-48-27-33-63(75-69(48)72(51)78-66)57-24-15-45-9-3-6-12-54(45)39-57/h4-42H,1-3H3;1-42H
InChIKeyHOEJNJHXMZGJPM-UHFFFAOYSA-N
MW2024.42 g/mol
LogP37.80
Rot. Bonds12

About 2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline

2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline (PubChem CID 158538042) has the molecular formula C147H90N12 and a molecular weight of 2024.42 g/mol. Its IUPAC name is 2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
PubChem CID158538042
Molecular FormulaC147H90N12
Molecular Weight2024.42 g/mol
Exact Mass2022.74
IUPAC Name2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
SMILESCc1ccc2ccccc2c1-c1ccc2ccc3ccc(-c4cc(-c5ccc6ccc7ccc(-c8c(C)ccc9ccccc89)nc7c6n5)cc(-c5ccc6ccc7ccc(-c8c(C)ccc9ccccc89)nc7c6n5)c4)nc3c2n1.c1ccc2cc(-c3ccc4ccc5ccc(-c6cc(-c7ccc8ccc9ccc(-c%10ccc%11ccccc%11c%10)nc9c8n7)cc(-c7ccc8ccc9ccc(-c%10ccc%11ccccc%11c%10)nc9c8n7)c6)nc5c4n3)ccc2c1
InChIInChI=1S/C75H48N6.C72H42N6/c1-43-16-19-46-10-4-7-13-58(46)67(43)64-37-31-52-25-22-49-28-34-61(76-70(49)73(52)79-64)55-40-56(62-35-29-50-23-26-53-32-38-65(80-74(53)71(50)77-62)68-44(2)17-20-47-11-5-8-14-59(47)68)42-57(41-55)63-36-30-51-24-27-54-33-39-66(81-75(54)72(51)78-63)69-45(3)18-21-48-12-6-9-15-60(48)69;1-4-10-52-37-55(22-13-43(52)7-1)61-31-25-46-16-19-49-28-34-64(76-70(49)67(46)73-61)58-40-59(65-35-29-50-20-17-47-26-32-62(74-68(47)71(50)77-65)56-23-14-44-8-2-5-11-53(44)38-56)42-60(41-58)66-36-30-51-21-18-48-27-33-63(75-69(48)72(51)78-66)57-24-15-45-9-3-6-12-54(45)39-57/h4-42H,1-3H3;1-42H
InChIKeyHOEJNJHXMZGJPM-UHFFFAOYSA-N
XLogP37.80
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002024.42
LogP ≤ 537.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline with MolForge

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Related Compounds

2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
2-naphthalen-2-yl-9-[4-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 59010533
2-(4-methylnaphthalen-1-yl)-9-[7-[9-(4-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 59010407
2-naphthalen-2-yl-9-[3-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010493
2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 165103178
9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
CID 59010374
2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400
2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
CID 155022869
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445819
2-[10-(4-anthracen-9-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline
CID 134596726
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
CID 134167414
2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline
CID 134167550

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline?
The IUPAC name of 2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline (CID 158538042) is 2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline.
What is the SMILES notation for 2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline?
The canonical SMILES for 2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline is Cc1ccc2ccccc2c1-c1ccc2ccc3ccc(-c4cc(-c5ccc6ccc7ccc(-c8c(C)ccc9ccccc89)nc7c6n5)cc(-c5ccc6ccc7ccc(-c8c(C)ccc9ccccc89)nc7c6n5)c4)nc3c2n1.c1ccc2cc(-c3ccc4ccc5ccc(-c6cc(-c7ccc8ccc9ccc(-c%10ccc%11ccccc%11c%10)nc9c8n7)cc(-c7ccc8ccc9ccc(-c%10ccc%11ccccc%11c%10)nc9c8n7)c6)nc5c4n3)ccc2c1.
What is the InChIKey of 2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline?
The InChIKey is HOEJNJHXMZGJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N6.C72H42N6/c1-43-16-19-46-10-4-7-13-58(46)67(43)64-37-31-52-25-22-49-28-34-61(76-70(49)73(52)79-64)55-40-56(62-35-29-50-23-26-53-32-38-65(80-74(53)71(50)77-62)68-44(2)17-20-47-11-5-8-14-59(47)68)42-57(41-55)63-36-30-51-24-27-54-33-39-66(81-75(54)72(51)78-63)69-45(3)18-21-48-12-6-9-15-60(48)69;1-4-10-52-37-55(22-13-43(52)7-1)61-31-25-46-16-19-49-28-34-64(76-70(49)67(46)73-61)58-40-59(65-35-29-50-20-17-47-26-32-62(74-68(47)71(50)77-65)56-23-14-44-8-2-5-11-53(44)38-56)42-60(41-58)66-36-30-51-21-18-48-27-33-63(75-69(48)72(51)78-66)57-24-15-45-9-3-6-12-54(45)39-57/h4-42H,1-3H3;1-42H.
What are the key properties of 2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline?
2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline has a molecular weight of 2024.42 g/mol, XLogP of 37.80, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[9-(2-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]phenyl]-9-(2-methylnaphthalen-1-yl)-1,10-phenanthroline;2-[3,5-bis(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline is sourced from PubChem (CID 158538042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).