7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline

C110H68N8 — CID 157434289

IUPAC7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4c5ccccc5c(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)c5ccccc45)nc23)cc1.c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc5cc6cc(-c7ccc(-n8c(-c9ccccc9)nc9ccccc98)cc7)ccc6cc5c4)nc23)cc1
InChIInChI=1S/2C55H34N4/c1-3-15-35(16-4-1)51-44-23-11-12-24-46(44)56-54-45(51)33-29-37-30-34-48(57-53(37)54)52-42-21-9-7-19-40(42)50(41-20-8-10-22-43(41)52)36-27-31-39(32-28-36)59-49-26-14-13-25-47(49)58-55(59)38-17-5-2-6-18-38;1-3-11-36(12-4-1)52-46-15-7-8-16-49(46)57-54-47(52)29-25-37-26-30-48(56-53(37)54)42-22-21-41-32-43-31-39(19-20-40(43)33-44(41)34-42)35-23-27-45(28-24-35)59-51-18-10-9-17-50(51)58-55(59)38-13-5-2-6-14-38/h2*1-34H
InChIKeyBQXGQWQLQOUNCP-UHFFFAOYSA-N
MW1501.81 g/mol
LogP28.50
Rot. Bonds10

About 7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline

7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline (PubChem CID 157434289) has the molecular formula C110H68N8 and a molecular weight of 1501.81 g/mol. Its IUPAC name is 7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline
PubChem CID157434289
Molecular FormulaC110H68N8
Molecular Weight1501.81 g/mol
Exact Mass1500.56
IUPAC Name7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4c5ccccc5c(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)c5ccccc45)nc23)cc1.c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc5cc6cc(-c7ccc(-n8c(-c9ccccc9)nc9ccccc98)cc7)ccc6cc5c4)nc23)cc1
InChIInChI=1S/2C55H34N4/c1-3-15-35(16-4-1)51-44-23-11-12-24-46(44)56-54-45(51)33-29-37-30-34-48(57-53(37)54)52-42-21-9-7-19-40(42)50(41-20-8-10-22-43(41)52)36-27-31-39(32-28-36)59-49-26-14-13-25-47(49)58-55(59)38-17-5-2-6-18-38;1-3-11-36(12-4-1)52-46-15-7-8-16-49(46)57-54-47(52)29-25-37-26-30-48(56-53(37)54)42-22-21-41-32-43-31-39(19-20-40(43)33-44(41)34-42)35-23-27-45(28-24-35)59-51-18-10-9-17-50(51)58-55(59)38-13-5-2-6-14-38/h2*1-34H
InChIKeyBQXGQWQLQOUNCP-UHFFFAOYSA-N
XLogP28.50
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001501.81
LogP ≤ 528.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-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

2-[4-(10-phenylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
CID 122578272
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 143548276
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502691
2-phenyl-7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139446000
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445803
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline?
The IUPAC name of 7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline (CID 157434289) is 7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline is c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4c5ccccc5c(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)c5ccccc45)nc23)cc1.c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc5cc6cc(-c7ccc(-n8c(-c9ccccc9)nc9ccccc98)cc7)ccc6cc5c4)nc23)cc1.
What is the InChIKey of 7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline?
The InChIKey is BQXGQWQLQOUNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H34N4/c1-3-15-35(16-4-1)51-44-23-11-12-24-46(44)56-54-45(51)33-29-37-30-34-48(57-53(37)54)52-42-21-9-7-19-40(42)50(41-20-8-10-22-43(41)52)36-27-31-39(32-28-36)59-49-26-14-13-25-47(49)58-55(59)38-17-5-2-6-18-38;1-3-11-36(12-4-1)52-46-15-7-8-16-49(46)57-54-47(52)29-25-37-26-30-48(56-53(37)54)42-22-21-41-32-43-31-39(19-20-40(43)33-44(41)34-42)35-23-27-45(28-24-35)59-51-18-10-9-17-50(51)58-55(59)38-13-5-2-6-14-38/h2*1-34H.
What are the key properties of 7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline?
7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline has a molecular weight of 1501.81 g/mol, XLogP of 28.50, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-[6-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]benzo[b][1,10]phenanthroline;7-phenyl-2-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 157434289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).