2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]

C43H30N4O — CID 138641274

IUPAC2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]
SMILESCc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1
InChIInChI=1S/C43H30N4O/c1-27-15-18-37-34(23-27)43(32-10-3-5-13-40(32)48-41-14-6-4-11-33(41)43)35-24-28(2)16-19-38(35)46(37)29-17-20-36-31(25-29)42-39(12-8-22-45-42)47(36)30-9-7-21-44-26-30/h3-26H,1-2H3
InChIKeyGXNLBYNYUMSAFB-UHFFFAOYSA-N
MW618.74 g/mol
LogP10.46
Rot. Bonds2

About 2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]

2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene] (PubChem CID 138641274) has the molecular formula C43H30N4O and a molecular weight of 618.74 g/mol. Its IUPAC name is 2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene].

Molecular Properties

Compound Name2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]
PubChem CID138641274
Molecular FormulaC43H30N4O
Molecular Weight618.74 g/mol
Exact Mass618.24
IUPAC Name2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]
SMILESCc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1
InChIInChI=1S/C43H30N4O/c1-27-15-18-37-34(23-27)43(32-10-3-5-13-40(32)48-41-14-6-4-11-33(41)43)35-24-28(2)16-19-38(35)46(37)29-17-20-36-31(25-29)42-39(12-8-22-45-42)47(36)30-9-7-21-44-26-30/h3-26H,1-2H3
InChIKeyGXNLBYNYUMSAFB-UHFFFAOYSA-N
XLogP10.46
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.74
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]?
The IUPAC name of 2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene] (CID 138641274) is 2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene].
What is the SMILES notation for 2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]?
The canonical SMILES for 2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene] is Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1.
What is the InChIKey of 2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]?
The InChIKey is GXNLBYNYUMSAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4O/c1-27-15-18-37-34(23-27)43(32-10-3-5-13-40(32)48-41-14-6-4-11-33(41)43)35-24-28(2)16-19-38(35)46(37)29-17-20-36-31(25-29)42-39(12-8-22-45-42)47(36)30-9-7-21-44-26-30/h3-26H,1-2H3.
What are the key properties of 2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene]?
2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene] has a molecular weight of 618.74 g/mol, XLogP of 10.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 138641274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).