2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol

C34H21N3O2 — CID 151564161

IUPAC2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol
SMILESOc1cccc2ccc3ccc(-c4[nH]c5ccccc5c4-c4ccc5ccc6cccc(O)c6c5n4)nc3c12
InChIInChI=1S/C34H21N3O2/c38-27-9-3-5-19-11-13-21-15-17-25(36-32(21)29(19)27)31-23-7-1-2-8-24(23)35-34(31)26-18-16-22-14-12-20-6-4-10-28(39)30(20)33(22)37-26/h1-18,35,38-39H
InChIKeyQDBLMDRSBKZPMK-UHFFFAOYSA-N
MW503.56 g/mol
LogP8.32
Rot. Bonds2

About 2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol

2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol (PubChem CID 151564161) has the molecular formula C34H21N3O2 and a molecular weight of 503.56 g/mol. Its IUPAC name is 2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol.

Molecular Properties

Compound Name2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol
PubChem CID151564161
Molecular FormulaC34H21N3O2
Molecular Weight503.56 g/mol
Exact Mass503.16
IUPAC Name2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol
SMILESOc1cccc2ccc3ccc(-c4[nH]c5ccccc5c4-c4ccc5ccc6cccc(O)c6c5n4)nc3c12
InChIInChI=1S/C34H21N3O2/c38-27-9-3-5-19-11-13-21-15-17-25(36-32(21)29(19)27)31-23-7-1-2-8-24(23)35-34(31)26-18-16-22-14-12-20-6-4-10-28(39)30(20)33(22)37-26/h1-18,35,38-39H
InChIKeyQDBLMDRSBKZPMK-UHFFFAOYSA-N
XLogP8.32
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.56
LogP ≤ 58.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol?
The IUPAC name of 2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol (CID 151564161) is 2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol.
What is the SMILES notation for 2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol?
The canonical SMILES for 2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol is Oc1cccc2ccc3ccc(-c4[nH]c5ccccc5c4-c4ccc5ccc6cccc(O)c6c5n4)nc3c12.
What is the InChIKey of 2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol?
The InChIKey is QDBLMDRSBKZPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3O2/c38-27-9-3-5-19-11-13-21-15-17-25(36-32(21)29(19)27)31-23-7-1-2-8-24(23)35-34(31)26-18-16-22-14-12-20-6-4-10-28(39)30(20)33(22)37-26/h1-18,35,38-39H.
What are the key properties of 2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol?
2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol has a molecular weight of 503.56 g/mol, XLogP of 8.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(10-hydroxybenzo[h]quinolin-2-yl)-1H-indol-3-yl]benzo[h]quinolin-10-ol is sourced from PubChem (CID 151564161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).