10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]

C121H88N12O2 — CID 160634047

IUPAC10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]
SMILESCc1nc(-c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2)c(C)c(-c2cccnc2)n1.Cc1nc(-c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2)c(C)c(-c2cncnc2)n1.Cc1nc(C)c(C)c(-c2ccc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)n1
InChIInChI=1S/C42H30N4O.C41H29N5O.C38H29N3/c1-27-40(44-28(2)45-41(27)30-12-11-25-43-26-30)29-21-23-31(24-22-29)46-36-17-7-3-13-32(36)42(33-14-4-8-18-37(33)46)34-15-5-9-19-38(34)47-39-20-10-6-16-35(39)42;1-26-39(44-27(2)45-40(26)29-23-42-25-43-24-29)28-19-21-30(22-20-28)46-35-15-7-3-11-31(35)41(32-12-4-8-16-36(32)46)33-13-5-9-17-37(33)47-38-18-10-6-14-34(38)41;1-24-25(2)39-26(3)40-37(24)27-20-22-28(23-21-27)41-35-18-10-8-16-33(35)38(34-17-9-11-19-36(34)41)31-14-6-4-12-29(31)30-13-5-7-15-32(30)38/h3-26H,1-2H3;3-25H,1-2H3;4-23H,1-3H3
InChIKeyRIHLLOXKWAVQKX-UHFFFAOYSA-N
MW1742.12 g/mol
LogP28.80
Rot. Bonds8

About 10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]

10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 160634047) has the molecular formula C121H88N12O2 and a molecular weight of 1742.12 g/mol. Its IUPAC name is 10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]
PubChem CID160634047
Molecular FormulaC121H88N12O2
Molecular Weight1742.12 g/mol
Exact Mass1740.72
IUPAC Name10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]
SMILESCc1nc(-c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2)c(C)c(-c2cccnc2)n1.Cc1nc(-c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2)c(C)c(-c2cncnc2)n1.Cc1nc(C)c(C)c(-c2ccc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)n1
InChIInChI=1S/C42H30N4O.C41H29N5O.C38H29N3/c1-27-40(44-28(2)45-41(27)30-12-11-25-43-26-30)29-21-23-31(24-22-29)46-36-17-7-3-13-32(36)42(33-14-4-8-18-37(33)46)34-15-5-9-19-38(34)47-39-20-10-6-16-35(39)42;1-26-39(44-27(2)45-40(26)29-23-42-25-43-24-29)28-19-21-30(22-20-28)46-35-15-7-3-11-31(35)41(32-12-4-8-16-36(32)46)33-13-5-9-17-37(33)47-38-18-10-6-14-34(38)41;1-24-25(2)39-26(3)40-37(24)27-20-22-28(23-21-27)41-35-18-10-8-16-33(35)38(34-17-9-11-19-36(34)41)31-14-6-4-12-29(31)30-13-5-7-15-32(30)38/h3-26H,1-2H3;3-25H,1-2H3;4-23H,1-3H3
InChIKeyRIHLLOXKWAVQKX-UHFFFAOYSA-N
XLogP28.80
TPSA144.19 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001742.12
LogP ≤ 528.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene] with MolForge

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Related Compounds

CID 158303939
CID 158303939
CID 137451222
CID 137451222
4-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-2,5,6-trimethylpyrimidine
CID 154626511
2-phenyl-4-[4-(4-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139306583
3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene]
CID 158998878
2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571377
2-pyridin-3-yl-6-(5'-spiro[acridine-9,9'-xanthene]-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)benzonitrile
CID 158258519
CID 144851814
CID 144851814
10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 139306409
CID 146495452
CID 146495452
2-methyl-4-[3'-[2-[3-(4-methyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 167364470
6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile
CID 157298075

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene] (CID 160634047) is 10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene] is Cc1nc(-c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2)c(C)c(-c2cccnc2)n1.Cc1nc(-c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2)c(C)c(-c2cncnc2)n1.Cc1nc(C)c(C)c(-c2ccc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)n1.
What is the InChIKey of 10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]?
The InChIKey is RIHLLOXKWAVQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4O.C41H29N5O.C38H29N3/c1-27-40(44-28(2)45-41(27)30-12-11-25-43-26-30)29-21-23-31(24-22-29)46-36-17-7-3-13-32(36)42(33-14-4-8-18-37(33)46)34-15-5-9-19-38(34)47-39-20-10-6-16-35(39)42;1-26-39(44-27(2)45-40(26)29-23-42-25-43-24-29)28-19-21-30(22-20-28)46-35-15-7-3-11-31(35)41(32-12-4-8-16-36(32)46)33-13-5-9-17-37(33)47-38-18-10-6-14-34(38)41;1-24-25(2)39-26(3)40-37(24)27-20-22-28(23-21-27)41-35-18-10-8-16-33(35)38(34-17-9-11-19-36(34)41)31-14-6-4-12-29(31)30-13-5-7-15-32(30)38/h3-26H,1-2H3;3-25H,1-2H3;4-23H,1-3H3.
What are the key properties of 10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene]?
10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 1742.12 g/mol, XLogP of 28.80, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,5-dimethyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-xanthene];10-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 160634047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).