2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole

C29H24N2 — CID 2849002

IUPAC2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1cccc2ccccc12)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C29H24N2/c1-18-27(23-13-5-7-16-25(23)30-18)29(22-15-9-11-20-10-3-4-12-21(20)22)28-19(2)31-26-17-8-6-14-24(26)28/h3-17,29-31H,1-2H3
InChIKeyNEOPHLUKMUWAAI-UHFFFAOYSA-N
MW400.53 g/mol
LogP7.60
Rot. Bonds3

About 2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole

2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole (PubChem CID 2849002) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole
PubChem CID2849002
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC Name2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1cccc2ccccc12)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C29H24N2/c1-18-27(23-13-5-7-16-25(23)30-18)29(22-15-9-11-20-10-3-4-12-21(20)22)28-19(2)31-26-17-8-6-14-24(26)28/h3-17,29-31H,1-2H3
InChIKeyNEOPHLUKMUWAAI-UHFFFAOYSA-N
XLogP7.60
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole?
The IUPAC name of 2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole (CID 2849002) is 2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole?
The canonical SMILES for 2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole is Cc1[nH]c2ccccc2c1C(c1cccc2ccccc12)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole?
The InChIKey is NEOPHLUKMUWAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2/c1-18-27(23-13-5-7-16-25(23)30-18)29(22-15-9-11-20-10-3-4-12-21(20)22)28-19(2)31-26-17-8-6-14-24(26)28/h3-17,29-31H,1-2H3.
What are the key properties of 2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole?
2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole has a molecular weight of 400.53 g/mol, XLogP of 7.60, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole is sourced from PubChem (CID 2849002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).