1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole

C30H20F4N2 — CID 56851722

IUPAC1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole
SMILESFc1cccc(F)c1Cn1ccc2ccc(-c3ccc4ccn(Cc5c(F)cccc5F)c4c3)cc21
InChIInChI=1S/C30H20F4N2/c31-25-3-1-4-26(32)23(25)17-35-13-11-19-7-9-21(15-29(19)35)22-10-8-20-12-14-36(30(20)16-22)18-24-27(33)5-2-6-28(24)34/h1-16H,17-18H2
InChIKeyRMKBUNAIQQFNRA-UHFFFAOYSA-N
MW484.50 g/mol
LogP7.92
Rot. Bonds5

About 1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole

1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole (PubChem CID 56851722) has the molecular formula C30H20F4N2 and a molecular weight of 484.50 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole
PubChem CID56851722
Molecular FormulaC30H20F4N2
Molecular Weight484.50 g/mol
Exact Mass484.16
IUPAC Name1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole
SMILESFc1cccc(F)c1Cn1ccc2ccc(-c3ccc4ccn(Cc5c(F)cccc5F)c4c3)cc21
InChIInChI=1S/C30H20F4N2/c31-25-3-1-4-26(32)23(25)17-35-13-11-19-7-9-21(15-29(19)35)22-10-8-20-12-14-36(30(20)16-22)18-24-27(33)5-2-6-28(24)34/h1-16H,17-18H2
InChIKeyRMKBUNAIQQFNRA-UHFFFAOYSA-N
XLogP7.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole (CID 56851722) is 1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole is Fc1cccc(F)c1Cn1ccc2ccc(-c3ccc4ccn(Cc5c(F)cccc5F)c4c3)cc21.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole?
The InChIKey is RMKBUNAIQQFNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F4N2/c31-25-3-1-4-26(32)23(25)17-35-13-11-19-7-9-21(15-29(19)35)22-10-8-20-12-14-36(30(20)16-22)18-24-27(33)5-2-6-28(24)34/h1-16H,17-18H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole?
1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole has a molecular weight of 484.50 g/mol, XLogP of 7.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-6-[1-[(2,6-difluorophenyl)methyl]indol-6-yl]indole is sourced from PubChem (CID 56851722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).