10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine

C36H26N4 — CID 140910342

IUPAC10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine
SMILESc1ccc2c(c1)Cc1ccccc1N2c1ncccc1-c1cccnc1N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C36H26N4/c1-5-17-31-25(11-1)23-26-12-2-6-18-32(26)39(31)35-29(15-9-21-37-35)30-16-10-22-38-36(30)40-33-19-7-3-13-27(33)24-28-14-4-8-20-34(28)40/h1-22H,23-24H2
InChIKeyTWCCMEWQJQQTAS-UHFFFAOYSA-N
MW514.63 g/mol
LogP8.89
Rot. Bonds3

About 10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine

10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine (PubChem CID 140910342) has the molecular formula C36H26N4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine.

Molecular Properties

Compound Name10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine
PubChem CID140910342
Molecular FormulaC36H26N4
Molecular Weight514.63 g/mol
Exact Mass514.22
IUPAC Name10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine
SMILESc1ccc2c(c1)Cc1ccccc1N2c1ncccc1-c1cccnc1N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C36H26N4/c1-5-17-31-25(11-1)23-26-12-2-6-18-32(26)39(31)35-29(15-9-21-37-35)30-16-10-22-38-36(30)40-33-19-7-3-13-27(33)24-28-14-4-8-20-34(28)40/h1-22H,23-24H2
InChIKeyTWCCMEWQJQQTAS-UHFFFAOYSA-N
XLogP8.89
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine?
The IUPAC name of 10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine (CID 140910342) is 10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine.
What is the SMILES notation for 10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine?
The canonical SMILES for 10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine is c1ccc2c(c1)Cc1ccccc1N2c1ncccc1-c1cccnc1N1c2ccccc2Cc2ccccc21.
What is the InChIKey of 10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine?
The InChIKey is TWCCMEWQJQQTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4/c1-5-17-31-25(11-1)23-26-12-2-6-18-32(26)39(31)35-29(15-9-21-37-35)30-16-10-22-38-36(30)40-33-19-7-3-13-27(33)24-28-14-4-8-20-34(28)40/h1-22H,23-24H2.
What are the key properties of 10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine?
10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine has a molecular weight of 514.63 g/mol, XLogP of 8.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine is sourced from PubChem (CID 140910342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).