2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole

C30H17F4N3 — CID 151967844

IUPAC2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole
SMILESFc1ccc(-c2cccnc2-c2[nH]c3ccccc3c2-c2ncccc2-c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C30H17F4N3/c31-17-9-11-19(24(33)15-17)21-6-3-13-35-28(21)27-23-5-1-2-8-26(23)37-30(27)29-22(7-4-14-36-29)20-12-10-18(32)16-25(20)34/h1-16,37H
InChIKeyUAASHUQKNHPSPW-UHFFFAOYSA-N
MW495.48 g/mol
LogP8.18
Rot. Bonds4

About 2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole

2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole (PubChem CID 151967844) has the molecular formula C30H17F4N3 and a molecular weight of 495.48 g/mol. Its IUPAC name is 2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole.

Molecular Properties

Compound Name2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole
PubChem CID151967844
Molecular FormulaC30H17F4N3
Molecular Weight495.48 g/mol
Exact Mass495.14
IUPAC Name2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole
SMILESFc1ccc(-c2cccnc2-c2[nH]c3ccccc3c2-c2ncccc2-c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C30H17F4N3/c31-17-9-11-19(24(33)15-17)21-6-3-13-35-28(21)27-23-5-1-2-8-26(23)37-30(27)29-22(7-4-14-36-29)20-12-10-18(32)16-25(20)34/h1-16,37H
InChIKeyUAASHUQKNHPSPW-UHFFFAOYSA-N
XLogP8.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.48
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-3-fluoropyridine
CID 102309458
2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660
8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
CID 67270610
4-(2,4-difluorophenyl)-1H-indole
CID 22561815
2-(2,4-difluorophenyl)-3-propan-2-ylpyridine
CID 58439278
8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 90138467
9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
CID 53473843
9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene
CID 87425893
9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene
CID 87425597
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
CID 67270546
3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139757971
1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole
CID 175594588

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole?
The IUPAC name of 2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole (CID 151967844) is 2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole.
What is the SMILES notation for 2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole?
The canonical SMILES for 2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole is Fc1ccc(-c2cccnc2-c2[nH]c3ccccc3c2-c2ncccc2-c2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole?
The InChIKey is UAASHUQKNHPSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17F4N3/c31-17-9-11-19(24(33)15-17)21-6-3-13-35-28(21)27-23-5-1-2-8-26(23)37-30(27)29-22(7-4-14-36-29)20-12-10-18(32)16-25(20)34/h1-16,37H.
What are the key properties of 2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole?
2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole has a molecular weight of 495.48 g/mol, XLogP of 8.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[3-(2,4-difluorophenyl)-2-pyridinyl]-1H-indole is sourced from PubChem (CID 151967844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).