6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole

C33H20N6O — CID 118229476

IUPAC6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole
SMILESc1ccc2c(c1)c1c3occc3ccc1n2-c1ccc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C33H20N6O/c1-2-4-27-26(3-1)29-28(10-7-21-15-20-40-30(21)29)39(27)25-8-5-22(6-9-25)31-36-32(23-11-16-34-17-12-23)38-33(37-31)24-13-18-35-19-14-24/h1-20H
InChIKeyYIGYFZXPFCLLSU-UHFFFAOYSA-N
MW516.56 g/mol
LogP7.51
Rot. Bonds4

About 6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole

6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole (PubChem CID 118229476) has the molecular formula C33H20N6O and a molecular weight of 516.56 g/mol. Its IUPAC name is 6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole.

Molecular Properties

Compound Name6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole
PubChem CID118229476
Molecular FormulaC33H20N6O
Molecular Weight516.56 g/mol
Exact Mass516.17
IUPAC Name6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole
SMILESc1ccc2c(c1)c1c3occc3ccc1n2-c1ccc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C33H20N6O/c1-2-4-27-26(3-1)29-28(10-7-21-15-20-40-30(21)29)39(27)25-8-5-22(6-9-25)31-36-32(23-11-16-34-17-12-23)38-33(37-31)24-13-18-35-19-14-24/h1-20H
InChIKeyYIGYFZXPFCLLSU-UHFFFAOYSA-N
XLogP7.51
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.56
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229485
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]furo[3,2-c]carbazole
CID 118229450
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-[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-(5-pyridin-4-yl-2-pyridinyl)furo[3,2-c]carbazole
CID 123596887
6-(2,6-diphenyl-4-pyridinyl)furo[3,2-c]carbazole
CID 123472648
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]furo[2,3-c]carbazole
CID 123283036
6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229522
9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 118698991
6-(3,5-diphenylphenyl)furo[3,2-c]carbazole;6-phenylfuro[3,2-c]carbazole;6-(3-phenylphenyl)furo[3,2-c]carbazole;6-(4-phenylphenyl)furo[3,2-c]carbazole
CID 159669938
6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 159825657
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937273

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole?
The IUPAC name of 6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole (CID 118229476) is 6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole.
What is the SMILES notation for 6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole?
The canonical SMILES for 6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole is c1ccc2c(c1)c1c3occc3ccc1n2-c1ccc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)cc1.
What is the InChIKey of 6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole?
The InChIKey is YIGYFZXPFCLLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N6O/c1-2-4-27-26(3-1)29-28(10-7-21-15-20-40-30(21)29)39(27)25-8-5-22(6-9-25)31-36-32(23-11-16-34-17-12-23)38-33(37-31)24-13-18-35-19-14-24/h1-20H.
What are the key properties of 6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole?
6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole has a molecular weight of 516.56 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]furo[3,2-c]carbazole is sourced from PubChem (CID 118229476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).