1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane

C33H36N4 — CID 144687883

IUPAC1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane
SMILESC=Cc1c(/C=C\C)n(-c2cc(-c3ccncc3)cc(-c3ccncc3)n2)c2ccc(C)cc12.CC.CC
InChIInChI=1S/C29H24N4.2C2H6/c1-4-6-27-24(5-2)25-17-20(3)7-8-28(25)33(27)29-19-23(21-9-13-30-14-10-21)18-26(32-29)22-11-15-31-16-12-22;2*1-2/h4-19H,2H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyNQVFQIOSWVOPIT-XFUGJFOESA-N
MW488.68 g/mol
LogP9.19
Rot. Bonds5

About 1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane

1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane (PubChem CID 144687883) has the molecular formula C33H36N4 and a molecular weight of 488.68 g/mol. Its IUPAC name is 1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane.

Molecular Properties

Compound Name1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane
PubChem CID144687883
Molecular FormulaC33H36N4
Molecular Weight488.68 g/mol
Exact Mass488.29
IUPAC Name1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane
SMILESC=Cc1c(/C=C\C)n(-c2cc(-c3ccncc3)cc(-c3ccncc3)n2)c2ccc(C)cc12.CC.CC
InChIInChI=1S/C29H24N4.2C2H6/c1-4-6-27-24(5-2)25-17-20(3)7-8-28(25)33(27)29-19-23(21-9-13-30-14-10-21)18-26(32-29)22-11-15-31-16-12-22;2*1-2/h4-19H,2H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyNQVFQIOSWVOPIT-XFUGJFOESA-N
XLogP9.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane with MolForge

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Related Compounds

9-(4,6-dipyridin-4-yl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144632040
3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole
CID 144680666
9-(4,6-diphenyl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144875865
2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine
CID 134692019
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
1-[3-[3-[2-chloro-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indole
CID 145369569
N-[4-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]phenyl]-N,4-diphenylaniline
CID 170106811
5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
CID 144919540
3-ethenyl-1,2,5-trimethylindole
CID 89379856
22-(4,6-diphenyl-2-pyridinyl)-22-azahexacyclo[12.11.0.02,11.05,10.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;prop-1-ene
CID 145105417
9-[4-(2-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]-3-ethenyl-6-methylcarbazole
CID 121245502
ethane;1-[3-ethenyl-6-[4-(4-methylphenyl)phenyl]-2-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol;propan-1-ol
CID 145464947

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane?
The IUPAC name of 1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane (CID 144687883) is 1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane.
What is the SMILES notation for 1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane?
The canonical SMILES for 1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane is C=Cc1c(/C=C\C)n(-c2cc(-c3ccncc3)cc(-c3ccncc3)n2)c2ccc(C)cc12.CC.CC.
What is the InChIKey of 1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane?
The InChIKey is NQVFQIOSWVOPIT-XFUGJFOESA-N. The full InChI is InChI=1S/C29H24N4.2C2H6/c1-4-6-27-24(5-2)25-17-20(3)7-8-28(25)33(27)29-19-23(21-9-13-30-14-10-21)18-26(32-29)22-11-15-31-16-12-22;2*1-2/h4-19H,2H2,1,3H3;2*1-2H3/b6-4-;;.
What are the key properties of 1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane?
1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane has a molecular weight of 488.68 g/mol, XLogP of 9.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane is sourced from PubChem (CID 144687883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).