8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline

C168H107N9O3 — CID 164981172

IUPAC8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline
SMILESC1=CC2C=CC=C(c3cccc4c3Oc3c(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)cccc3C43c4ccccc4-c4ccccc43)C2N=C1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4Oc4c(-c6cccc7cccnc67)cccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3Oc3c(-c5cccc6c(-c7ccccc7)ccnc56)cccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/2C56H35N3O.C56H37N3O/c1-4-17-36(18-5-1)39-33-34-57-52-42(39)25-14-26-43(52)44-27-15-31-48-53(44)60-54-45(55-58-50(37-19-6-2-7-20-37)35-51(59-55)38-21-8-3-9-22-38)28-16-32-49(54)56(48)46-29-12-10-23-40(46)41-24-11-13-30-47(41)56;1-3-15-37(16-4-1)50-35-51(59-55(58-50)40-17-5-2-6-18-40)38-32-30-36(31-33-38)41-23-12-28-48-53(41)60-54-45(44-24-11-19-39-20-14-34-57-52(39)44)25-13-29-49(54)56(48)46-26-9-7-21-42(46)43-22-8-10-27-47(43)56;1-3-15-36(16-4-1)37-30-32-38(33-31-37)50-35-51(59-55(58-50)40-17-5-2-6-18-40)45-25-13-29-49-54(45)60-53-44(43-23-11-19-39-20-14-34-57-52(39)43)24-12-28-48(53)56(49)46-26-9-7-21-41(46)42-22-8-10-27-47(42)56/h2*1-35H;1-35,39,52H
InChIKeyFMVPQYZGIFJAKL-UHFFFAOYSA-N
MW2299.76 g/mol
LogP40.85
Rot. Bonds15

About 8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline

8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline (PubChem CID 164981172) has the molecular formula C168H107N9O3 and a molecular weight of 2299.76 g/mol. Its IUPAC name is 8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline
PubChem CID164981172
Molecular FormulaC168H107N9O3
Molecular Weight2299.76 g/mol
Exact Mass2297.85
IUPAC Name8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline
SMILESC1=CC2C=CC=C(c3cccc4c3Oc3c(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)cccc3C43c4ccccc4-c4ccccc43)C2N=C1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4Oc4c(-c6cccc7cccnc67)cccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3Oc3c(-c5cccc6c(-c7ccccc7)ccnc56)cccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/2C56H35N3O.C56H37N3O/c1-4-17-36(18-5-1)39-33-34-57-52-42(39)25-14-26-43(52)44-27-15-31-48-53(44)60-54-45(55-58-50(37-19-6-2-7-20-37)35-51(59-55)38-21-8-3-9-22-38)28-16-32-49(54)56(48)46-29-12-10-23-40(46)41-24-11-13-30-47(41)56;1-3-15-37(16-4-1)50-35-51(59-55(58-50)40-17-5-2-6-18-40)38-32-30-36(31-33-38)41-23-12-28-48-53(41)60-54-45(44-24-11-19-39-20-14-34-57-52(39)44)25-13-29-49(54)56(48)46-26-9-7-21-42(46)43-22-8-10-27-47(43)56;1-3-15-36(16-4-1)37-30-32-38(33-31-37)50-35-51(59-55(58-50)40-17-5-2-6-18-40)45-25-13-29-49-54(45)60-53-44(43-23-11-19-39-20-14-34-57-52(39)43)24-12-28-48(53)56(49)46-26-9-7-21-41(46)42-22-8-10-27-47(42)56/h2*1-35H;1-35,39,52H
InChIKeyFMVPQYZGIFJAKL-UHFFFAOYSA-N
XLogP40.85
TPSA143.17 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002299.76
LogP ≤ 540.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline with MolForge

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Related Compounds

8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547203
8-[5'-[4-(7,8-dihydronaphthalen-1-yl)-6-phenylpyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 160567121
8-[5'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;7-[5'-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 164999881
8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547205
5-[5'-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547267
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 146547799
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline
CID 146547263
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
8-[4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]phenyl]quinoline
CID 146547877
8-[6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenylquinoline;8-[6-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;7-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 165106906

Frequently Asked Questions

What is the IUPAC name of 8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline?
The IUPAC name of 8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline (CID 164981172) is 8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline.
What is the SMILES notation for 8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline?
The canonical SMILES for 8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline is C1=CC2C=CC=C(c3cccc4c3Oc3c(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)cccc3C43c4ccccc4-c4ccccc43)C2N=C1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4Oc4c(-c6cccc7cccnc67)cccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3Oc3c(-c5cccc6c(-c7ccccc7)ccnc56)cccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline?
The InChIKey is FMVPQYZGIFJAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H35N3O.C56H37N3O/c1-4-17-36(18-5-1)39-33-34-57-52-42(39)25-14-26-43(52)44-27-15-31-48-53(44)60-54-45(55-58-50(37-19-6-2-7-20-37)35-51(59-55)38-21-8-3-9-22-38)28-16-32-49(54)56(48)46-29-12-10-23-40(46)41-24-11-13-30-47(41)56;1-3-15-37(16-4-1)50-35-51(59-55(58-50)40-17-5-2-6-18-40)38-32-30-36(31-33-38)41-23-12-28-48-53(41)60-54-45(44-24-11-19-39-20-14-34-57-52(39)44)25-13-29-49(54)56(48)46-26-9-7-21-42(46)43-22-8-10-27-47(43)56;1-3-15-36(16-4-1)37-30-32-38(33-31-37)50-35-51(59-55(58-50)40-17-5-2-6-18-40)45-25-13-29-49-54(45)60-53-44(43-23-11-19-39-20-14-34-57-52(39)43)24-12-28-48(53)56(49)46-26-9-7-21-41(46)42-22-8-10-27-47(42)56/h2*1-35H;1-35,39,52H.
What are the key properties of 8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline?
8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline has a molecular weight of 2299.76 g/mol, XLogP of 40.85, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline;8-[5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]-4-phenylquinoline;8-[5'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-4a,8a-dihydroquinoline is sourced from PubChem (CID 164981172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).