ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine

C50H46N10 — CID 144790724

IUPACethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine
SMILESCC.CC.c1cc(-c2ccc(-c3ccncc3)[nH]2)cc(-c2ccc(-c3ccncc3)[nH]2)c1.c1cnc(-c2cc(-c3cccc(-c4c[nH]c(-c5ncccn5)c4)c3)c[nH]2)nc1
InChIInChI=1S/C24H18N4.C22H16N6.2C2H6/c1-2-19(23-6-4-21(27-23)17-8-12-25-13-9-17)16-20(3-1)24-7-5-22(28-24)18-10-14-26-15-11-18;1-4-15(17-11-19(27-13-17)21-23-6-2-7-24-21)10-16(5-1)18-12-20(28-14-18)22-25-8-3-9-26-22;2*1-2/h1-16,27-28H;1-14,27-28H;2*1-2H3
InChIKeyHJFKVFIQNTZWSS-UHFFFAOYSA-N
MW786.99 g/mol
LogP12.44
Rot. Bonds8

About ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine

ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine (PubChem CID 144790724) has the molecular formula C50H46N10 and a molecular weight of 786.99 g/mol. Its IUPAC name is ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine.

Molecular Properties

Compound Nameethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine
PubChem CID144790724
Molecular FormulaC50H46N10
Molecular Weight786.99 g/mol
Exact Mass786.39
IUPAC Nameethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine
SMILESCC.CC.c1cc(-c2ccc(-c3ccncc3)[nH]2)cc(-c2ccc(-c3ccncc3)[nH]2)c1.c1cnc(-c2cc(-c3cccc(-c4c[nH]c(-c5ncccn5)c4)c3)c[nH]2)nc1
InChIInChI=1S/C24H18N4.C22H16N6.2C2H6/c1-2-19(23-6-4-21(27-23)17-8-12-25-13-9-17)16-20(3-1)24-7-5-22(28-24)18-10-14-26-15-11-18;1-4-15(17-11-19(27-13-17)21-23-6-2-7-24-21)10-16(5-1)18-12-20(28-14-18)22-25-8-3-9-26-22;2*1-2/h1-16,27-28H;1-14,27-28H;2*1-2H3
InChIKeyHJFKVFIQNTZWSS-UHFFFAOYSA-N
XLogP12.44
TPSA140.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.99
LogP ≤ 512.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine with MolForge

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Related Compounds

2-(5-phenyl-1H-pyrrol-3-yl)pyridine
CID 76663027
4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine
CID 135526581
1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
CID 118529858
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine
CID 140818851
4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine
CID 144664691
3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
CID 144664737
2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 158374042
N,N-dimethyl-3-[4-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2-yl]aniline;pyridine
CID 174914321
6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine
CID 141011061
4-(5-propyl-1H-pyrrol-3-yl)pyridine
CID 91212718

Frequently Asked Questions

What is the IUPAC name of ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine?
The IUPAC name of ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine (CID 144790724) is ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine.
What is the SMILES notation for ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine?
The canonical SMILES for ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine is CC.CC.c1cc(-c2ccc(-c3ccncc3)[nH]2)cc(-c2ccc(-c3ccncc3)[nH]2)c1.c1cnc(-c2cc(-c3cccc(-c4c[nH]c(-c5ncccn5)c4)c3)c[nH]2)nc1.
What is the InChIKey of ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine?
The InChIKey is HJFKVFIQNTZWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4.C22H16N6.2C2H6/c1-2-19(23-6-4-21(27-23)17-8-12-25-13-9-17)16-20(3-1)24-7-5-22(28-24)18-10-14-26-15-11-18;1-4-15(17-11-19(27-13-17)21-23-6-2-7-24-21)10-16(5-1)18-12-20(28-14-18)22-25-8-3-9-26-22;2*1-2/h1-16,27-28H;1-14,27-28H;2*1-2H3.
What are the key properties of ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine?
ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine has a molecular weight of 786.99 g/mol, XLogP of 12.44, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine is sourced from PubChem (CID 144790724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).