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

C52H39N5S — CID 118228086

IUPAC6-[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
SMILESC1=CC(c2ccc(C3C=C(c4ccncc4)NC(c4cccc(-n5c6ccccc6c6c7sc(-c8ccccc8)c(-c8ccccc8)c7ccc65)c4)N3)cc2)=CCN1
InChIInChI=1S/C52H39N5S/c1-3-10-38(11-4-1)48-43-22-23-47-49(51(43)58-50(48)39-12-5-2-6-13-39)42-16-7-8-17-46(42)57(47)41-15-9-14-40(32-41)52-55-44(33-45(56-52)37-26-30-54-31-27-37)36-20-18-34(19-21-36)35-24-28-53-29-25-35/h1-28,30-33,44,52-53,55-56H,29H2
InChIKeyKHPCWGOSHFFGLQ-UHFFFAOYSA-N
MW765.99 g/mol
LogP12.20
Rot. Bonds7

About 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

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 (PubChem CID 118228086) has the molecular formula C52H39N5S and a molecular weight of 765.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID118228086
Molecular FormulaC52H39N5S
Molecular Weight765.99 g/mol
Exact Mass765.29
IUPAC Name6-[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
SMILESC1=CC(c2ccc(C3C=C(c4ccncc4)NC(c4cccc(-n5c6ccccc6c6c7sc(-c8ccccc8)c(-c8ccccc8)c7ccc65)c4)N3)cc2)=CCN1
InChIInChI=1S/C52H39N5S/c1-3-10-38(11-4-1)48-43-22-23-47-49(51(43)58-50(48)39-12-5-2-6-13-39)42-16-7-8-17-46(42)57(47)41-15-9-14-40(32-41)52-55-44(33-45(56-52)37-26-30-54-31-27-37)36-20-18-34(19-21-36)35-24-28-53-29-25-35/h1-28,30-33,44,52-53,55-56H,29H2
InChIKeyKHPCWGOSHFFGLQ-UHFFFAOYSA-N
XLogP12.20
TPSA53.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.99
LogP ≤ 512.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
9-[4-[6-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]carbazole
CID 121466919
(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-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
CID 134390813
6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118229648
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-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228656
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-[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-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]furo[3,2-c]carbazole
CID 118228052
9-[3-(6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162777
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]furo[3,2-c]carbazole
CID 118227963

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(c2ccc(C3C=C(c4ccncc4)NC(c4cccc(-n5c6ccccc6c6c7sc(-c8ccccc8)c(-c8ccccc8)c7ccc65)c4)N3)cc2)=CCN1.
What is the InChIKey of 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?
The InChIKey is KHPCWGOSHFFGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N5S/c1-3-10-38(11-4-1)48-43-22-23-47-49(51(43)58-50(48)39-12-5-2-6-13-39)42-16-7-8-17-46(42)57(47)41-15-9-14-40(32-41)52-55-44(33-45(56-52)37-26-30-54-31-27-37)36-20-18-34(19-21-36)35-24-28-53-29-25-35/h1-28,30-33,44,52-53,55-56H,29H2.
What are the key properties of 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?
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 has a molecular weight of 765.99 g/mol, XLogP of 12.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118228086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).