5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole

C30H28N6 — CID 89496000

IUPAC5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole
SMILESc1cc2[nH]c(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cc3)cc2cc1C1=NCCCN1
InChIInChI=1S/C30H28N6/c1-11-31-29(32-12-1)22-9-10-25-24(15-22)18-27(35-25)20-5-3-19(4-6-20)26-16-21-7-8-23(17-28(21)36-26)30-33-13-2-14-34-30/h3-10,15-18,35-36H,1-2,11-14H2,(H,31,32)(H,33,34)
InChIKeyYFCNIOBYOQUTFG-UHFFFAOYSA-N
MW472.60 g/mol
LogP5.46
Rot. Bonds4

About 5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole

5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole (PubChem CID 89496000) has the molecular formula C30H28N6 and a molecular weight of 472.60 g/mol. Its IUPAC name is 5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole.

Molecular Properties

Compound Name5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole
PubChem CID89496000
Molecular FormulaC30H28N6
Molecular Weight472.60 g/mol
Exact Mass472.24
IUPAC Name5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole
SMILESc1cc2[nH]c(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cc3)cc2cc1C1=NCCCN1
InChIInChI=1S/C30H28N6/c1-11-31-29(32-12-1)22-9-10-25-24(15-22)18-27(35-25)20-5-3-19(4-6-20)26-16-21-7-8-23(17-28(21)36-26)30-33-13-2-14-34-30/h3-10,15-18,35-36H,1-2,11-14H2,(H,31,32)(H,33,34)
InChIKeyYFCNIOBYOQUTFG-UHFFFAOYSA-N
XLogP5.46
TPSA80.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 55.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole?
The IUPAC name of 5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole (CID 89496000) is 5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole.
What is the SMILES notation for 5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole?
The canonical SMILES for 5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole is c1cc2[nH]c(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cc3)cc2cc1C1=NCCCN1.
What is the InChIKey of 5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole?
The InChIKey is YFCNIOBYOQUTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6/c1-11-31-29(32-12-1)22-9-10-25-24(15-22)18-27(35-25)20-5-3-19(4-6-20)26-16-21-7-8-23(17-28(21)36-26)30-33-13-2-14-34-30/h3-10,15-18,35-36H,1-2,11-14H2,(H,31,32)(H,33,34).
What are the key properties of 5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole?
5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole has a molecular weight of 472.60 g/mol, XLogP of 5.46, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]phenyl]-1H-indole is sourced from PubChem (CID 89496000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).