10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]

C41H26N4O — CID 138641301

IUPAC10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]
SMILESc1cncc(-n2c3ccc(N4c5ccccc5C5(c6ccccc6Oc6ccccc65)c5ccccc54)cc3c3ncccc32)c1
InChIInChI=1S/C41H26N4O/c1-5-16-35-30(12-1)41(32-14-3-7-19-38(32)46-39-20-8-4-15-33(39)41)31-13-2-6-17-36(31)44(35)27-21-22-34-29(25-27)40-37(18-10-24-43-40)45(34)28-11-9-23-42-26-28/h1-26H
InChIKeyDZEQCRDTCWXMKW-UHFFFAOYSA-N
MW590.69 g/mol
LogP9.85
Rot. Bonds2

About 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]

10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene] (PubChem CID 138641301) has the molecular formula C41H26N4O and a molecular weight of 590.69 g/mol. Its IUPAC name is 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene].

Molecular Properties

Compound Name10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]
PubChem CID138641301
Molecular FormulaC41H26N4O
Molecular Weight590.69 g/mol
Exact Mass590.21
IUPAC Name10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]
SMILESc1cncc(-n2c3ccc(N4c5ccccc5C5(c6ccccc6Oc6ccccc65)c5ccccc54)cc3c3ncccc32)c1
InChIInChI=1S/C41H26N4O/c1-5-16-35-30(12-1)41(32-14-3-7-19-38(32)46-39-20-8-4-15-33(39)41)31-13-2-6-17-36(31)44(35)27-21-22-34-29(25-27)40-37(18-10-24-43-40)45(34)28-11-9-23-42-26-28/h1-26H
InChIKeyDZEQCRDTCWXMKW-UHFFFAOYSA-N
XLogP9.85
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.69
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]?
The IUPAC name of 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene] (CID 138641301) is 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene].
What is the SMILES notation for 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]?
The canonical SMILES for 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene] is c1cncc(-n2c3ccc(N4c5ccccc5C5(c6ccccc6Oc6ccccc65)c5ccccc54)cc3c3ncccc32)c1.
What is the InChIKey of 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]?
The InChIKey is DZEQCRDTCWXMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4O/c1-5-16-35-30(12-1)41(32-14-3-7-19-38(32)46-39-20-8-4-15-33(39)41)31-13-2-6-17-36(31)44(35)27-21-22-34-29(25-27)40-37(18-10-24-43-40)45(34)28-11-9-23-42-26-28/h1-26H.
What are the key properties of 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]?
10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene] has a molecular weight of 590.69 g/mol, XLogP of 9.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 138641301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).