3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole

C37H25F2N3 — CID 175349871

IUPAC3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole
SMILESCc1[nH]c2cccc(-c3c(-c4cccc(F)c4)[nH]c4ccccc34)c2c1-c1c(-c2cccc(F)c2)[nH]c2ccccc12
InChIInChI=1S/C37H25F2N3/c1-21-32(35-27-14-3-5-17-30(27)42-37(35)23-10-7-12-25(39)20-23)34-28(15-8-18-31(34)40-21)33-26-13-2-4-16-29(26)41-36(33)22-9-6-11-24(38)19-22/h2-20,40-42H,1H3
InChIKeyNNYAEDVTPZXVFW-UHFFFAOYSA-N
MW549.62 g/mol
LogP10.39
Rot. Bonds4

About 3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole

3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole (PubChem CID 175349871) has the molecular formula C37H25F2N3 and a molecular weight of 549.62 g/mol. Its IUPAC name is 3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole
PubChem CID175349871
Molecular FormulaC37H25F2N3
Molecular Weight549.62 g/mol
Exact Mass549.20
IUPAC Name3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole
SMILESCc1[nH]c2cccc(-c3c(-c4cccc(F)c4)[nH]c4ccccc34)c2c1-c1c(-c2cccc(F)c2)[nH]c2ccccc12
InChIInChI=1S/C37H25F2N3/c1-21-32(35-27-14-3-5-17-30(27)42-37(35)23-10-7-12-25(39)20-23)34-28(15-8-18-31(34)40-21)33-26-13-2-4-16-29(26)41-36(33)22-9-6-11-24(38)19-22/h2-20,40-42H,1H3
InChIKeyNNYAEDVTPZXVFW-UHFFFAOYSA-N
XLogP10.39
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.62
LogP ≤ 510.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole?
The IUPAC name of 3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole (CID 175349871) is 3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole.
What is the SMILES notation for 3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole?
The canonical SMILES for 3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole is Cc1[nH]c2cccc(-c3c(-c4cccc(F)c4)[nH]c4ccccc34)c2c1-c1c(-c2cccc(F)c2)[nH]c2ccccc12.
What is the InChIKey of 3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole?
The InChIKey is NNYAEDVTPZXVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25F2N3/c1-21-32(35-27-14-3-5-17-30(27)42-37(35)23-10-7-12-25(39)20-23)34-28(15-8-18-31(34)40-21)33-26-13-2-4-16-29(26)41-36(33)22-9-6-11-24(38)19-22/h2-20,40-42H,1H3.
What are the key properties of 3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole?
3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole has a molecular weight of 549.62 g/mol, XLogP of 10.39, 4 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[2-(3-fluorophenyl)-1H-indol-3-yl]-2-methyl-1H-indole is sourced from PubChem (CID 175349871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).