2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol

C28H22N2O2 — CID 86084541

IUPAC2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol
SMILESCn1cc(-c2c(O)c(-c3cn(C)c4ccccc34)c3ccccc3c2O)c2ccccc21
InChIInChI=1S/C28H22N2O2/c1-29-15-21(17-9-5-7-13-23(17)29)25-19-11-3-4-12-20(19)27(31)26(28(25)32)22-16-30(2)24-14-8-6-10-18(22)24/h3-16,31-32H,1-2H3
InChIKeyVRVDXQICQMEOJM-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.57
Rot. Bonds2

About 2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol

2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol (PubChem CID 86084541) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol.

Molecular Properties

Compound Name2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol
PubChem CID86084541
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Name2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol
SMILESCn1cc(-c2c(O)c(-c3cn(C)c4ccccc34)c3ccccc3c2O)c2ccccc21
InChIInChI=1S/C28H22N2O2/c1-29-15-21(17-9-5-7-13-23(17)29)25-19-11-3-4-12-20(19)27(31)26(28(25)32)22-16-30(2)24-14-8-6-10-18(22)24/h3-16,31-32H,1-2H3
InChIKeyVRVDXQICQMEOJM-UHFFFAOYSA-N
XLogP6.57
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol?
The IUPAC name of 2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol (CID 86084541) is 2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol.
What is the SMILES notation for 2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol?
The canonical SMILES for 2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol is Cn1cc(-c2c(O)c(-c3cn(C)c4ccccc34)c3ccccc3c2O)c2ccccc21.
What is the InChIKey of 2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol?
The InChIKey is VRVDXQICQMEOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-29-15-21(17-9-5-7-13-23(17)29)25-19-11-3-4-12-20(19)27(31)26(28(25)32)22-16-30(2)24-14-8-6-10-18(22)24/h3-16,31-32H,1-2H3.
What are the key properties of 2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol?
2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol has a molecular weight of 418.50 g/mol, XLogP of 6.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1-methylindol-3-yl)naphthalene-1,3-diol is sourced from PubChem (CID 86084541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).