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

C45H30N6S — CID 118228260

IUPAC6-[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
SMILESC1=CC(c2nc(-c3ccncc3)nc(-c3ccc(-n4c5ccccc5c5c6sc(-c7ccccc7)c(-c7ccccc7)c6ccc54)cc3)n2)=CCN1
InChIInChI=1S/C45H30N6S/c1-3-9-29(10-4-1)39-36-19-20-38-40(42(36)52-41(39)30-11-5-2-6-12-30)35-13-7-8-14-37(35)51(38)34-17-15-31(16-18-34)43-48-44(32-21-25-46-26-22-32)50-45(49-43)33-23-27-47-28-24-33/h1-27,47H,28H2
InChIKeyCMXPTEVMFBEIFC-UHFFFAOYSA-N
MW686.84 g/mol
LogP10.75
Rot. Bonds6

About 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

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 (PubChem CID 118228260) has the molecular formula C45H30N6S and a molecular weight of 686.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID118228260
Molecular FormulaC45H30N6S
Molecular Weight686.84 g/mol
Exact Mass686.23
IUPAC Name6-[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
SMILESC1=CC(c2nc(-c3ccncc3)nc(-c3ccc(-n4c5ccccc5c5c6sc(-c7ccccc7)c(-c7ccccc7)c6ccc54)cc3)n2)=CCN1
InChIInChI=1S/C45H30N6S/c1-3-9-29(10-4-1)39-36-19-20-38-40(42(36)52-41(39)30-11-5-2-6-12-30)35-13-7-8-14-37(35)51(38)34-17-15-31(16-18-34)43-48-44(32-21-25-46-26-22-32)50-45(49-43)33-23-27-47-28-24-33/h1-27,47H,28H2
InChIKeyCMXPTEVMFBEIFC-UHFFFAOYSA-N
XLogP10.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.84
LogP ≤ 510.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2,3-diphenyl-6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
CID 118229645
6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118229648
6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-6-pyridin-4-yl-1,2,3,4-tetrahydropyrimidin-2-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228086
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-(4,6-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-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229475
6-dibenzothiophen-2-yl-2,3-diphenylthieno[3,2-c]carbazole
CID 118228202
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-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118227981
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-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole
CID 118227971
6-[4-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118228514

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(c2nc(-c3ccncc3)nc(-c3ccc(-n4c5ccccc5c5c6sc(-c7ccccc7)c(-c7ccccc7)c6ccc54)cc3)n2)=CCN1.
What is the InChIKey of 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?
The InChIKey is CMXPTEVMFBEIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N6S/c1-3-9-29(10-4-1)39-36-19-20-38-40(42(36)52-41(39)30-11-5-2-6-12-30)35-13-7-8-14-37(35)51(38)34-17-15-31(16-18-34)43-48-44(32-21-25-46-26-22-32)50-45(49-43)33-23-27-47-28-24-33/h1-27,47H,28H2.
What are the key properties of 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?
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 has a molecular weight of 686.84 g/mol, XLogP of 10.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118228260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).