2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline

C41H24N6 — CID 142370835

IUPAC2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1cc(-c3ccc(-c4ccc5nn6c(-c7ccc8ccc9cccnc9c8n7)cccc6c5c4)cc3)cnc12
InChIInChI=1S/C41H24N6/c1-6-36-33-23-30(25-8-10-26(11-9-25)32-22-31-15-14-27-4-2-20-42-38(27)40(31)44-24-32)17-18-34(33)46-47(36)37(7-1)35-19-16-29-13-12-28-5-3-21-43-39(28)41(29)45-35/h1-24H
InChIKeyIXIPXVBDWSSPFI-UHFFFAOYSA-N
MW600.69 g/mol
LogP9.68
Rot. Bonds3

About 2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline

2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline (PubChem CID 142370835) has the molecular formula C41H24N6 and a molecular weight of 600.69 g/mol. Its IUPAC name is 2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline
PubChem CID142370835
Molecular FormulaC41H24N6
Molecular Weight600.69 g/mol
Exact Mass600.21
IUPAC Name2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1cc(-c3ccc(-c4ccc5nn6c(-c7ccc8ccc9cccnc9c8n7)cccc6c5c4)cc3)cnc12
InChIInChI=1S/C41H24N6/c1-6-36-33-23-30(25-8-10-26(11-9-25)32-22-31-15-14-27-4-2-20-42-38(27)40(31)44-24-32)17-18-34(33)46-47(36)37(7-1)35-19-16-29-13-12-28-5-3-21-43-39(28)41(29)45-35/h1-24H
InChIKeyIXIPXVBDWSSPFI-UHFFFAOYSA-N
XLogP9.68
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.69
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-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

3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline
CID 121368463
7-(7-naphthalen-2-ylquinolin-2-yl)pyrido[1,2-b]indazole
CID 142370838
9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline
CID 59412911
3-[6-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-3-pyridinyl]-1,10-phenanthroline
CID 167411895
3-(4-dibenzothiophen-2-ylphenyl)-1,10-phenanthroline
CID 90050319
2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 129208813
3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline
CID 146248863
2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline
CID 129172574
2-[6-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-3-pyridinyl]-1,10-phenanthroline
CID 167410703
2-[4-[8-[4-(1,10-phenanthrolin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,10-phenanthroline
CID 90050142
2-[7-[2-[4-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline
CID 164780762

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline?
The IUPAC name of 2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline (CID 142370835) is 2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline is c1cnc2c(c1)ccc1cc(-c3ccc(-c4ccc5nn6c(-c7ccc8ccc9cccnc9c8n7)cccc6c5c4)cc3)cnc12.
What is the InChIKey of 2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline?
The InChIKey is IXIPXVBDWSSPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N6/c1-6-36-33-23-30(25-8-10-26(11-9-25)32-22-31-15-14-27-4-2-20-42-38(27)40(31)44-24-32)17-18-34(33)46-47(36)37(7-1)35-19-16-29-13-12-28-5-3-21-43-39(28)41(29)45-35/h1-24H.
What are the key properties of 2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline?
2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline has a molecular weight of 600.69 g/mol, XLogP of 9.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline is sourced from PubChem (CID 142370835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).