6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole

C45H30N6O — CID 118228574

IUPAC6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole
SMILESC1=CC(c2nc(-c3ccncc3)nc(-c3cccc(-n4c5ccccc5c5c6oc(-c7ccccc7)c(-c7ccccc7)c6ccc54)c3)n2)=CCN1
InChIInChI=1S/C45H30N6O/c1-3-10-29(11-4-1)39-36-18-19-38-40(42(36)52-41(39)30-12-5-2-6-13-30)35-16-7-8-17-37(35)51(38)34-15-9-14-33(28-34)45-49-43(31-20-24-46-25-21-31)48-44(50-45)32-22-26-47-27-23-32/h1-26,28,47H,27H2
InChIKeyPMTGBPOXVNDQLU-UHFFFAOYSA-N
MW670.78 g/mol
LogP10.28
Rot. Bonds6

About 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole

6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole (PubChem CID 118228574) has the molecular formula C45H30N6O and a molecular weight of 670.78 g/mol. Its IUPAC name is 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole.

Molecular Properties

Compound Name6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole
PubChem CID118228574
Molecular FormulaC45H30N6O
Molecular Weight670.78 g/mol
Exact Mass670.25
IUPAC Name6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole
SMILESC1=CC(c2nc(-c3ccncc3)nc(-c3cccc(-n4c5ccccc5c5c6oc(-c7ccccc7)c(-c7ccccc7)c6ccc54)c3)n2)=CCN1
InChIInChI=1S/C45H30N6O/c1-3-10-29(11-4-1)39-36-18-19-38-40(42(36)52-41(39)30-12-5-2-6-13-30)35-16-7-8-17-37(35)51(38)34-15-9-14-33(28-34)45-49-43(31-20-24-46-25-21-31)48-44(50-45)32-22-26-47-27-23-32/h1-26,28,47H,27H2
InChIKeyPMTGBPOXVNDQLU-UHFFFAOYSA-N
XLogP10.28
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.78
LogP ≤ 510.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole with MolForge

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Related Compounds

6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole;6-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole;6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 162158013
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228116
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118227981
2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229659
6-[4-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228260
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]furo[3,2-c]carbazole
CID 118227963
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-[4-(1,2-dihydropyridin-4-yl)phenyl]pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118228596
2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole
CID 140680258
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-pyridin-4-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 121400472
6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228107
2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole
CID 118229660
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole
CID 118228411

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole?
The IUPAC name of 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole (CID 118228574) is 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole.
What is the SMILES notation for 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole?
The canonical SMILES for 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole is C1=CC(c2nc(-c3ccncc3)nc(-c3cccc(-n4c5ccccc5c5c6oc(-c7ccccc7)c(-c7ccccc7)c6ccc54)c3)n2)=CCN1.
What is the InChIKey of 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole?
The InChIKey is PMTGBPOXVNDQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N6O/c1-3-10-29(11-4-1)39-36-18-19-38-40(42(36)52-41(39)30-12-5-2-6-13-30)35-16-7-8-17-37(35)51(38)34-15-9-14-33(28-34)45-49-43(31-20-24-46-25-21-31)48-44(50-45)32-22-26-47-27-23-32/h1-26,28,47H,27H2.
What are the key properties of 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole?
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole has a molecular weight of 670.78 g/mol, XLogP of 10.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole is sourced from PubChem (CID 118228574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).