2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline

C41H26N4 — CID 170441418

IUPAC2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline
SMILESc1ccc(-c2cc3c(-c4ccc5ccc6cccnc6c5n4)cccc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C41H26N4/c1-4-12-27(13-5-1)34-26-35-32(36-24-23-30-22-21-29-16-11-25-42-39(29)40(30)43-36)19-10-20-33(35)41-37(34)38(28-14-6-2-7-15-28)44-45(41)31-17-8-3-9-18-31/h1-26H
InChIKeyGYFQHYPXPVOEGB-UHFFFAOYSA-N
MW574.69 g/mol
LogP10.28
Rot. Bonds4

About 2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline

2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline (PubChem CID 170441418) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline
PubChem CID170441418
Molecular FormulaC41H26N4
Molecular Weight574.69 g/mol
Exact Mass574.22
IUPAC Name2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline
SMILESc1ccc(-c2cc3c(-c4ccc5ccc6cccnc6c5n4)cccc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C41H26N4/c1-4-12-27(13-5-1)34-26-35-32(36-24-23-30-22-21-29-16-11-25-42-39(29)40(30)43-36)19-10-20-33(35)41-37(34)38(28-14-6-2-7-15-28)44-45(41)31-17-8-3-9-18-31/h1-26H
InChIKeyGYFQHYPXPVOEGB-UHFFFAOYSA-N
XLogP10.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1,4-diphenylbenzo[g]indazol-3-yl)phenyl]-1,10-phenanthroline
CID 170441350
2-[4-(1,3,4-triphenylbenzo[g]indazol-9-yl)phenyl]-1,10-phenanthroline
CID 170441620
2-[3-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 170441382
2-[3-[4-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 170441193
6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441444
2-phenyl-9-[3-(1,3,4-triphenylbenzo[g]indazol-9-yl)phenyl]-1,10-phenanthroline
CID 170441624
1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441473
2-[4-(8,11-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1,10-phenanthroline
CID 121460944
8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441576
1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole
CID 170441067
2-[3-(1,3-diphenylbenzo[f]quinolin-5-yl)phenyl]-1,10-phenanthroline
CID 166568774
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
CID 170441150

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline?
The IUPAC name of 2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline (CID 170441418) is 2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline is c1ccc(-c2cc3c(-c4ccc5ccc6cccnc6c5n4)cccc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline?
The InChIKey is GYFQHYPXPVOEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-4-12-27(13-5-1)34-26-35-32(36-24-23-30-22-21-29-16-11-25-42-39(29)40(30)43-36)19-10-20-33(35)41-37(34)38(28-14-6-2-7-15-28)44-45(41)31-17-8-3-9-18-31/h1-26H.
What are the key properties of 2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline?
2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline has a molecular weight of 574.69 g/mol, XLogP of 10.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline is sourced from PubChem (CID 170441418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).