2,9-diphenylpyrimido[4,5-b]indol-4-amine

C22H16N4 — CID 14948734

IUPAC2,9-diphenylpyrimido[4,5-b]indol-4-amine
SMILESNc1nc(-c2ccccc2)nc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C22H16N4/c23-20-19-17-13-7-8-14-18(17)26(16-11-5-2-6-12-16)22(19)25-21(24-20)15-9-3-1-4-10-15/h1-14H,(H2,23,24,25)
InChIKeyZAFYHOKESFXOQY-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.82
Rot. Bonds2

About 2,9-diphenylpyrimido[4,5-b]indol-4-amine

2,9-diphenylpyrimido[4,5-b]indol-4-amine (PubChem CID 14948734) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2,9-diphenylpyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name2,9-diphenylpyrimido[4,5-b]indol-4-amine
PubChem CID14948734
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name2,9-diphenylpyrimido[4,5-b]indol-4-amine
SMILESNc1nc(-c2ccccc2)nc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C22H16N4/c23-20-19-17-13-7-8-14-18(17)26(16-11-5-2-6-12-16)22(19)25-21(24-20)15-9-3-1-4-10-15/h1-14H,(H2,23,24,25)
InChIKeyZAFYHOKESFXOQY-UHFFFAOYSA-N
XLogP4.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,9-diphenylpyrimido[4,5-b]indol-4-amine?
The IUPAC name of 2,9-diphenylpyrimido[4,5-b]indol-4-amine (CID 14948734) is 2,9-diphenylpyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for 2,9-diphenylpyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 2,9-diphenylpyrimido[4,5-b]indol-4-amine is Nc1nc(-c2ccccc2)nc2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2,9-diphenylpyrimido[4,5-b]indol-4-amine?
The InChIKey is ZAFYHOKESFXOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c23-20-19-17-13-7-8-14-18(17)26(16-11-5-2-6-12-16)22(19)25-21(24-20)15-9-3-1-4-10-15/h1-14H,(H2,23,24,25).
What are the key properties of 2,9-diphenylpyrimido[4,5-b]indol-4-amine?
2,9-diphenylpyrimido[4,5-b]indol-4-amine has a molecular weight of 336.40 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diphenylpyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 14948734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).