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

C34H25N5S — CID 118228324

IUPAC6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole
SMILESC1=CC(C2N=C(c3ccc(-n4c5ccccc5c5c6sccc6ccc54)cc3)C=C(c3ccncc3)N2)=CCN1
InChIInChI=1S/C34H25N5S/c1-2-4-30-27(3-1)32-31(10-7-24-15-20-40-33(24)32)39(30)26-8-5-22(6-9-26)28-21-29(23-11-16-35-17-12-23)38-34(37-28)25-13-18-36-19-14-25/h1-18,20-21,34,36,38H,19H2
InChIKeyRKPYVOJQIVBVNU-UHFFFAOYSA-N
MW535.68 g/mol
LogP7.20
Rot. Bonds4

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

6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole (PubChem CID 118228324) has the molecular formula C34H25N5S and a molecular weight of 535.68 g/mol. Its IUPAC name is 6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole
PubChem CID118228324
Molecular FormulaC34H25N5S
Molecular Weight535.68 g/mol
Exact Mass535.18
IUPAC Name6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole
SMILESC1=CC(C2N=C(c3ccc(-n4c5ccccc5c5c6sccc6ccc54)cc3)C=C(c3ccncc3)N2)=CCN1
InChIInChI=1S/C34H25N5S/c1-2-4-30-27(3-1)32-31(10-7-24-15-20-40-33(24)32)39(30)26-8-5-22(6-9-26)28-21-29(23-11-16-35-17-12-23)38-34(37-28)25-13-18-36-19-14-25/h1-18,20-21,34,36,38H,19H2
InChIKeyRKPYVOJQIVBVNU-UHFFFAOYSA-N
XLogP7.20
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.68
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]thieno[3,2-c]carbazole
CID 118229376
(13S)-8-[4-[2-(1,2-dihydropyridin-4-yl)-6-(4-pyridin-4-ylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]-13-phenyl-14-oxa-8-azatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene
CID 118228021
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-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]carbazole
CID 118229434
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
6-(4-triphenylen-2-ylphenyl)thieno[3,2-c]carbazole
CID 123633053
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
6-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]thieno[3,2-c]carbazole
CID 135264413
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118229357
6-(6-pyridin-2-yl-3-pyridinyl)thieno[3,2-c]carbazole
CID 123165262
6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole
CID 118227962

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole?
The IUPAC name of 6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole (CID 118228324) is 6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole.
What is the SMILES notation for 6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole?
The canonical SMILES for 6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole is C1=CC(C2N=C(c3ccc(-n4c5ccccc5c5c6sccc6ccc54)cc3)C=C(c3ccncc3)N2)=CCN1.
What is the InChIKey of 6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole?
The InChIKey is RKPYVOJQIVBVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N5S/c1-2-4-30-27(3-1)32-31(10-7-24-15-20-40-33(24)32)39(30)26-8-5-22(6-9-26)28-21-29(23-11-16-35-17-12-23)38-34(37-28)25-13-18-36-19-14-25/h1-18,20-21,34,36,38H,19H2.
What are the key properties of 6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole?
6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole has a molecular weight of 535.68 g/mol, XLogP of 7.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,2-dihydropyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole is sourced from PubChem (CID 118228324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).