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

C127H84N16O2S2 — CID 158237539

IUPAC3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene]
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1.c1cncc(-n2c3ccc(N4c5ccccc5C5(c6ccccc6Sc6ccccc65)c5ccccc54)cc3c3ncccc32)c1.c1cncc(-n2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3ncccc32)c1.c1cncc(-n2c3ccc(N4c5ccccc5Sc5ccccc54)cc3c3ncccc32)c1
InChIInChI=1S/C41H26N4S.C30H22N4O.C28H18N4O.C28H18N4S/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;1-19-7-10-25-28(15-19)35-29-16-20(2)8-11-26(29)33(25)21-9-12-24-23(17-21)30-27(6-4-14-32-30)34(24)22-5-3-13-31-18-22;2*1-3-11-26-23(8-1)31(24-9-2-4-12-27(24)33-26)19-13-14-22-21(17-19)28-25(10-6-16-30-28)32(22)20-7-5-15-29-18-20/h1-26H;3-18H,1-2H3;2*1-18H
InChIKeyGFDNPNGGYUNQNE-UHFFFAOYSA-N
MW1930.31 g/mol
LogP32.63
Rot. Bonds8

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

3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene] (PubChem CID 158237539) has the molecular formula C127H84N16O2S2 and a molecular weight of 1930.31 g/mol. Its IUPAC name is 3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene].

Molecular Properties

Compound Name3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene]
PubChem CID158237539
Molecular FormulaC127H84N16O2S2
Molecular Weight1930.31 g/mol
Exact Mass1928.64
IUPAC Name3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene]
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1.c1cncc(-n2c3ccc(N4c5ccccc5C5(c6ccccc6Sc6ccccc65)c5ccccc54)cc3c3ncccc32)c1.c1cncc(-n2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3ncccc32)c1.c1cncc(-n2c3ccc(N4c5ccccc5Sc5ccccc54)cc3c3ncccc32)c1
InChIInChI=1S/C41H26N4S.C30H22N4O.C28H18N4O.C28H18N4S/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;1-19-7-10-25-28(15-19)35-29-16-20(2)8-11-26(29)33(25)21-9-12-24-23(17-21)30-27(6-4-14-32-30)34(24)22-5-3-13-31-18-22;2*1-3-11-26-23(8-1)31(24-9-2-4-12-27(24)33-26)19-13-14-22-21(17-19)28-25(10-6-16-30-28)32(22)20-7-5-15-29-18-20/h1-26H;3-18H,1-2H3;2*1-18H
InChIKeyGFDNPNGGYUNQNE-UHFFFAOYSA-N
XLogP32.63
TPSA154.26 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001930.31
LogP ≤ 532.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene]?
The IUPAC name of 3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene] (CID 158237539) is 3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene].
What is the SMILES notation for 3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene]?
The canonical SMILES for 3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene] is Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1.c1cncc(-n2c3ccc(N4c5ccccc5C5(c6ccccc6Sc6ccccc65)c5ccccc54)cc3c3ncccc32)c1.c1cncc(-n2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c3ncccc32)c1.c1cncc(-n2c3ccc(N4c5ccccc5Sc5ccccc54)cc3c3ncccc32)c1.
What is the InChIKey of 3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene]?
The InChIKey is GFDNPNGGYUNQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4S.C30H22N4O.C28H18N4O.C28H18N4S/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;1-19-7-10-25-28(15-19)35-29-16-20(2)8-11-26(29)33(25)21-9-12-24-23(17-21)30-27(6-4-14-32-30)34(24)22-5-3-13-31-18-22;2*1-3-11-26-23(8-1)31(24-9-2-4-12-27(24)33-26)19-13-14-22-21(17-19)28-25(10-6-16-30-28)32(22)20-7-5-15-29-18-20/h1-26H;3-18H,1-2H3;2*1-18H.
What are the key properties of 3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene]?
3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene] has a molecular weight of 1930.31 g/mol, XLogP of 32.63, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenothiazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)phenoxazine;10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-thioxanthene] is sourced from PubChem (CID 158237539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).