2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole

C38H29N3 — CID 50925637

IUPAC2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole
SMILESCn1c(C(c2c(-c3ccccc3)[nH]c3ccccc23)c2c(-c3ccccc3)[nH]c3ccccc23)cc2ccccc21
InChIInChI=1S/C38H29N3/c1-41-32-23-13-8-18-27(32)24-33(41)36(34-28-19-9-11-21-30(28)39-37(34)25-14-4-2-5-15-25)35-29-20-10-12-22-31(29)40-38(35)26-16-6-3-7-17-26/h2-24,36,39-40H,1H3
InChIKeyDANMFBXCTLEPHN-UHFFFAOYSA-N
MW527.67 g/mol
LogP9.66
Rot. Bonds5

About 2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole

2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole (PubChem CID 50925637) has the molecular formula C38H29N3 and a molecular weight of 527.67 g/mol. Its IUPAC name is 2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole.

Molecular Properties

Compound Name2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole
PubChem CID50925637
Molecular FormulaC38H29N3
Molecular Weight527.67 g/mol
Exact Mass527.24
IUPAC Name2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole
SMILESCn1c(C(c2c(-c3ccccc3)[nH]c3ccccc23)c2c(-c3ccccc3)[nH]c3ccccc23)cc2ccccc21
InChIInChI=1S/C38H29N3/c1-41-32-23-13-8-18-27(32)24-33(41)36(34-28-19-9-11-21-30(28)39-37(34)25-14-4-2-5-15-25)35-29-20-10-12-22-31(29)40-38(35)26-16-6-3-7-17-26/h2-24,36,39-40H,1H3
InChIKeyDANMFBXCTLEPHN-UHFFFAOYSA-N
XLogP9.66
TPSA36.51 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 59.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole?
The IUPAC name of 2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole (CID 50925637) is 2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole.
What is the SMILES notation for 2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole?
The canonical SMILES for 2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole is Cn1c(C(c2c(-c3ccccc3)[nH]c3ccccc23)c2c(-c3ccccc3)[nH]c3ccccc23)cc2ccccc21.
What is the InChIKey of 2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole?
The InChIKey is DANMFBXCTLEPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N3/c1-41-32-23-13-8-18-27(32)24-33(41)36(34-28-19-9-11-21-30(28)39-37(34)25-14-4-2-5-15-25)35-29-20-10-12-22-31(29)40-38(35)26-16-6-3-7-17-26/h2-24,36,39-40H,1H3.
What are the key properties of 2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole?
2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole has a molecular weight of 527.67 g/mol, XLogP of 9.66, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-phenyl-1H-indol-3-yl)methyl]-1-methylindole is sourced from PubChem (CID 50925637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).