6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole

C34H23N5O — CID 118227981

IUPAC6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
SMILESC1=CC(c2cc(-c3ccncc3)nc(-c3cccc(-n4c5ccccc5c5c6occc6ccc54)c3)n2)=CCN1
InChIInChI=1S/C34H23N5O/c1-2-7-30-27(6-1)32-31(9-8-24-14-19-40-33(24)32)39(30)26-5-3-4-25(20-26)34-37-28(22-10-15-35-16-11-22)21-29(38-34)23-12-17-36-18-13-23/h1-17,19-21,36H,18H2
InChIKeyYITTYRHNXVSKKM-UHFFFAOYSA-N
MW517.59 g/mol
LogP7.55
Rot. Bonds4

About 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole

6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole (PubChem CID 118227981) has the molecular formula C34H23N5O and a molecular weight of 517.59 g/mol. Its IUPAC name is 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole.

Molecular Properties

Compound Name6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
PubChem CID118227981
Molecular FormulaC34H23N5O
Molecular Weight517.59 g/mol
Exact Mass517.19
IUPAC Name6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
SMILESC1=CC(c2cc(-c3ccncc3)nc(-c3cccc(-n4c5ccccc5c5c6occc6ccc54)c3)n2)=CCN1
InChIInChI=1S/C34H23N5O/c1-2-7-30-27(6-1)32-31(9-8-24-14-19-40-33(24)32)39(30)26-5-3-4-25(20-26)34-37-28(22-10-15-35-16-11-22)21-29(38-34)23-12-17-36-18-13-23/h1-17,19-21,36H,18H2
InChIKeyYITTYRHNXVSKKM-UHFFFAOYSA-N
XLogP7.55
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.59
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]furo[3,2-c]carbazole
CID 118227963
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]furo[3,2-c]carbazole
CID 118229450
6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229522
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
6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229485
6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]furo[3,2-c]carbazole;6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole;6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]furo[3,2-c]carbazole
CID 157354749
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole
CID 118228411
6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole
CID 118229476
6-(2,6-diphenyl-4-pyridinyl)furo[3,2-c]carbazole
CID 123472648
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 123490836
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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole?
The IUPAC name of 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole (CID 118227981) is 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole.
What is the SMILES notation for 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole?
The canonical SMILES for 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole is C1=CC(c2cc(-c3ccncc3)nc(-c3cccc(-n4c5ccccc5c5c6occc6ccc54)c3)n2)=CCN1.
What is the InChIKey of 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole?
The InChIKey is YITTYRHNXVSKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N5O/c1-2-7-30-27(6-1)32-31(9-8-24-14-19-40-33(24)32)39(30)26-5-3-4-25(20-26)34-37-28(22-10-15-35-16-11-22)21-29(38-34)23-12-17-36-18-13-23/h1-17,19-21,36H,18H2.
What are the key properties of 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole?
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole has a molecular weight of 517.59 g/mol, XLogP of 7.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole is sourced from PubChem (CID 118227981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).