7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline

C58H36N4 — CID 139445756

IUPAC7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline
SMILESc1ccc(-c2ccc3ccc4c(-c5ccc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cc5)c5ccccc5nc4c3n2)cc1
InChIInChI=1S/C58H36N4/c1-2-14-38(15-3-1)50-33-31-40-30-32-49-56(48-20-4-9-21-51(48)60-58(49)57(40)59-50)39-28-26-37(27-29-39)41-34-42(61-52-22-10-5-16-44(52)45-17-6-11-23-53(45)61)36-43(35-41)62-54-24-12-7-18-46(54)47-19-8-13-25-55(47)62/h1-36H
InChIKeyFLRUVPGPBGZCRS-UHFFFAOYSA-N
MW788.95 g/mol
LogP15.13
Rot. Bonds5

About 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline

7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline (PubChem CID 139445756) has the molecular formula C58H36N4 and a molecular weight of 788.95 g/mol. Its IUPAC name is 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline
PubChem CID139445756
Molecular FormulaC58H36N4
Molecular Weight788.95 g/mol
Exact Mass788.29
IUPAC Name7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline
SMILESc1ccc(-c2ccc3ccc4c(-c5ccc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cc5)c5ccccc5nc4c3n2)cc1
InChIInChI=1S/C58H36N4/c1-2-14-38(15-3-1)50-33-31-40-30-32-49-56(48-20-4-9-21-51(48)60-58(49)57(40)59-50)39-28-26-37(27-29-39)41-34-42(61-52-22-10-5-16-44(52)45-17-6-11-23-53(45)61)36-43(35-41)62-54-24-12-7-18-46(54)47-19-8-13-25-55(47)62/h1-36H
InChIKeyFLRUVPGPBGZCRS-UHFFFAOYSA-N
XLogP15.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.95
LogP ≤ 515.13
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-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[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-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline
CID 134559444
2-phenyl-7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139446000
7-[4-(3,6-diphenylphenanthren-1-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445650
7-phenyl-2-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 134559520
7-phenyl-2-[2-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)quinolin-7-yl]benzo[b][1,10]phenanthroline
CID 139445989
7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445803
7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213
9-[3-carbazol-9-yl-5-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 58526987
7-phenyl-2-[10-(4-quinolin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline
CID 134559323
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
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
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943750

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline?
The IUPAC name of 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline (CID 139445756) is 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline?
The canonical SMILES for 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline is c1ccc(-c2ccc3ccc4c(-c5ccc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cc5)c5ccccc5nc4c3n2)cc1.
What is the InChIKey of 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline?
The InChIKey is FLRUVPGPBGZCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4/c1-2-14-38(15-3-1)50-33-31-40-30-32-49-56(48-20-4-9-21-51(48)60-58(49)57(40)59-50)39-28-26-37(27-29-39)41-34-42(61-52-22-10-5-16-44(52)45-17-6-11-23-53(45)61)36-43(35-41)62-54-24-12-7-18-46(54)47-19-8-13-25-55(47)62/h1-36H.
What are the key properties of 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline?
7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline has a molecular weight of 788.95 g/mol, XLogP of 15.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline is sourced from PubChem (CID 139445756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).