7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline

C110H68N4 — CID 159833113

IUPAC7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc(-c7c8ccccc8nc8c7ccc7ccc(-c9ccccc9)nc78)cc6)cc5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2ccc3ccc4c(-c5ccc6c(ccc7cc(-c8c9ccccc9nc9c8ccc8cccnc89)ccc76)c5)cccc4c3c2)cc1
InChIInChI=1S/C60H38N2.C50H30N2/c1-4-12-39(13-5-1)48-29-26-44-30-33-50-53(37-49(38-55(50)54(44)36-48)40-14-6-2-7-15-40)43-24-20-41(21-25-43)42-22-27-46(28-23-42)58-51-18-10-11-19-57(51)62-60-52(58)34-31-47-32-35-56(61-59(47)60)45-16-8-3-9-17-45;1-2-8-31(9-3-1)34-16-15-32-19-25-43-39(12-6-13-42(43)46(32)30-34)37-21-23-40-35(28-37)17-18-36-29-38(22-24-41(36)40)48-44-11-4-5-14-47(44)52-50-45(48)26-20-33-10-7-27-51-49(33)50/h1-38H;1-30H
InChIKeyNNSBRASFUQBBJW-UHFFFAOYSA-N
MW1445.78 g/mol
LogP29.79
Rot. Bonds9

About 7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline

7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline (PubChem CID 159833113) has the molecular formula C110H68N4 and a molecular weight of 1445.78 g/mol. Its IUPAC name is 7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
PubChem CID159833113
Molecular FormulaC110H68N4
Molecular Weight1445.78 g/mol
Exact Mass1444.54
IUPAC Name7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc(-c7c8ccccc8nc8c7ccc7ccc(-c9ccccc9)nc78)cc6)cc5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2ccc3ccc4c(-c5ccc6c(ccc7cc(-c8c9ccccc9nc9c8ccc8cccnc89)ccc76)c5)cccc4c3c2)cc1
InChIInChI=1S/C60H38N2.C50H30N2/c1-4-12-39(13-5-1)48-29-26-44-30-33-50-53(37-49(38-55(50)54(44)36-48)40-14-6-2-7-15-40)43-24-20-41(21-25-43)42-22-27-46(28-23-42)58-51-18-10-11-19-57(51)62-60-52(58)34-31-47-32-35-56(61-59(47)60)45-16-8-3-9-17-45;1-2-8-31(9-3-1)34-16-15-32-19-25-43-39(12-6-13-42(43)46(32)30-34)37-21-23-40-35(28-37)17-18-36-29-38(22-24-41(36)40)48-44-11-4-5-14-47(44)52-50-45(48)26-20-33-10-7-27-51-49(33)50/h1-38H;1-30H
InChIKeyNNSBRASFUQBBJW-UHFFFAOYSA-N
XLogP29.79
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001445.78
LogP ≤ 529.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-(3,6-diphenylphenanthren-1-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;2-phenyl-7-[4-(6-phenylphenanthren-1-yl)phenyl]benzo[b][1,10]phenanthroline
CID 157079025
7-[4-(3,6-diphenylphenanthren-1-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445650
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
7-phenyl-2-[7-(9-phenyl-1,10-phenanthrolin-4-yl)phenanthren-3-yl]benzo[b][1,10]phenanthroline
CID 139446100
7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline
CID 160986724
2-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445974
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
7-naphthalen-1-yl-2-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559330
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
7-triphenylen-2-ylbenzo[b][1,10]phenanthroline
CID 139446092
7-[7-(1,10-phenanthrolin-5-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559393
2-phenyl-7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline;7-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline;7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline
CID 158595333

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline?
The IUPAC name of 7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline (CID 159833113) is 7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline is c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc(-c7c8ccccc8nc8c7ccc7ccc(-c9ccccc9)nc78)cc6)cc5)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2ccc3ccc4c(-c5ccc6c(ccc7cc(-c8c9ccccc9nc9c8ccc8cccnc89)ccc76)c5)cccc4c3c2)cc1.
What is the InChIKey of 7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline?
The InChIKey is NNSBRASFUQBBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2.C50H30N2/c1-4-12-39(13-5-1)48-29-26-44-30-33-50-53(37-49(38-55(50)54(44)36-48)40-14-6-2-7-15-40)43-24-20-41(21-25-43)42-22-27-46(28-23-42)58-51-18-10-11-19-57(51)62-60-52(58)34-31-47-32-35-56(61-59(47)60)45-16-8-3-9-17-45;1-2-8-31(9-3-1)34-16-15-32-19-25-43-39(12-6-13-42(43)46(32)30-34)37-21-23-40-35(28-37)17-18-36-29-38(22-24-41(36)40)48-44-11-4-5-14-47(44)52-50-45(48)26-20-33-10-7-27-51-49(33)50/h1-38H;1-30H.
What are the key properties of 7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline?
7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline has a molecular weight of 1445.78 g/mol, XLogP of 29.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 159833113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).