9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine

C46H29N7 — CID 165383085

IUPAC9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
SMILESc1ccc(-c2nc3cc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)ccc3c3c2ccc2nn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C46H29N7/c1-3-11-32(12-4-1)45-37-23-24-40-46(52-53(51-40)35-13-5-2-6-14-35)44(37)36-22-21-33(27-41(36)50-45)30-17-19-31(20-18-30)34-28-42(38-15-7-9-25-47-38)49-43(29-34)39-16-8-10-26-48-39/h1-29H
InChIKeyAVNLZIHJHMCQFM-UHFFFAOYSA-N
MW679.79 g/mol
LogP10.64
Rot. Bonds6

About 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine

9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine (PubChem CID 165383085) has the molecular formula C46H29N7 and a molecular weight of 679.79 g/mol. Its IUPAC name is 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine.

Molecular Properties

Compound Name9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
PubChem CID165383085
Molecular FormulaC46H29N7
Molecular Weight679.79 g/mol
Exact Mass679.25
IUPAC Name9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine
SMILESc1ccc(-c2nc3cc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)ccc3c3c2ccc2nn(-c4ccccc4)nc23)cc1
InChIInChI=1S/C46H29N7/c1-3-11-32(12-4-1)45-37-23-24-40-46(52-53(51-40)35-13-5-2-6-14-35)44(37)36-22-21-33(27-41(36)50-45)30-17-19-31(20-18-30)34-28-42(38-15-7-9-25-47-38)49-43(29-34)39-16-8-10-26-48-39/h1-29H
InChIKeyAVNLZIHJHMCQFM-UHFFFAOYSA-N
XLogP10.64
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.79
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,4,6-triphenyltriazolo[4,5-k]phenanthridine
CID 165382835
6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
CID 165383195
2,4-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]triazolo[4,5-k]phenanthridine;6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
CID 167651908
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-diphenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridine
CID 165382974
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine
CID 146549139
6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyltriazolo[4,5-k]phenanthridine
CID 165382977
4-[4-(2,6-diphenyltriazolo[4,5-k]phenanthridin-9-yl)phenyl]-2,3,5,6-tetrafluorobenzonitrile
CID 165383098
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine
CID 146549128
18-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 166584434
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine
CID 146549323
18-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 163803926
3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 157078508

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine?
The IUPAC name of 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine (CID 165383085) is 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine.
What is the SMILES notation for 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine?
The canonical SMILES for 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine is c1ccc(-c2nc3cc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)ccc3c3c2ccc2nn(-c4ccccc4)nc23)cc1.
What is the InChIKey of 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine?
The InChIKey is AVNLZIHJHMCQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N7/c1-3-11-32(12-4-1)45-37-23-24-40-46(52-53(51-40)35-13-5-2-6-14-35)44(37)36-22-21-33(27-41(36)50-45)30-17-19-31(20-18-30)34-28-42(38-15-7-9-25-47-38)49-43(29-34)39-16-8-10-26-48-39/h1-29H.
What are the key properties of 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine?
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine has a molecular weight of 679.79 g/mol, XLogP of 10.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-diphenyltriazolo[4,5-k]phenanthridine is sourced from PubChem (CID 165383085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).