2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine

C100H64N4O2 — CID 155443124

IUPAC2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
SMILESC1=CC2c3ccccc3C3(c4ccccc4Oc4c(-c5ccc(-c6cc(-c7cccc(-c8cccc9c8-c8ccccc8C98c9ccccc9Oc9c(-c%10ccc(-c%11cc(-c%12ccccc%12-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10)cccc98)c7)nc(-c7ccccc7)n6)cc5)cccc43)C2C=C1
InChIInChI=1S/C100H64N4O2/c1-4-26-63(27-5-1)72-34-10-11-37-78(72)91-62-89(102-98(104-91)69-30-8-3-9-31-69)67-58-54-65(55-59-67)75-41-25-49-87-96(75)106-93-51-21-19-46-84(93)100(87)82-44-17-14-38-79(82)94-73(39-23-47-85(94)100)70-32-22-33-71(60-70)90-61-88(101-97(103-90)68-28-6-2-7-29-68)66-56-52-64(53-57-66)74-40-24-48-86-95(74)105-92-50-20-18-45-83(92)99(86)80-42-15-12-35-76(80)77-36-13-16-43-81(77)99/h1-62,76,80H
InChIKeyUUJURVFAOAYPCF-UHFFFAOYSA-N
MW1353.64 g/mol
LogP24.68
Rot. Bonds10

About 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine

2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine (PubChem CID 155443124) has the molecular formula C100H64N4O2 and a molecular weight of 1353.64 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
PubChem CID155443124
Molecular FormulaC100H64N4O2
Molecular Weight1353.64 g/mol
Exact Mass1352.50
IUPAC Name2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
SMILESC1=CC2c3ccccc3C3(c4ccccc4Oc4c(-c5ccc(-c6cc(-c7cccc(-c8cccc9c8-c8ccccc8C98c9ccccc9Oc9c(-c%10ccc(-c%11cc(-c%12ccccc%12-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10)cccc98)c7)nc(-c7ccccc7)n6)cc5)cccc43)C2C=C1
InChIInChI=1S/C100H64N4O2/c1-4-26-63(27-5-1)72-34-10-11-37-78(72)91-62-89(102-98(104-91)69-30-8-3-9-31-69)67-58-54-65(55-59-67)75-41-25-49-87-96(75)106-93-51-21-19-46-84(93)100(87)82-44-17-14-38-79(82)94-73(39-23-47-85(94)100)70-32-22-33-71(60-70)90-61-88(101-97(103-90)68-28-6-2-7-29-68)66-56-52-64(53-57-66)74-40-24-48-86-95(74)105-92-50-20-18-45-83(92)99(86)80-42-15-12-35-76(80)77-36-13-16-43-81(77)99/h1-62,76,80H
InChIKeyUUJURVFAOAYPCF-UHFFFAOYSA-N
XLogP24.68
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001353.64
LogP ≤ 524.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine with MolForge

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Related Compounds

4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine
CID 155443305
4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 155442583
4-phenanthren-2-yl-6-phenyl-2-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442773
4-phenanthren-2-yl-6-phenyl-2-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155443455
4-naphthalen-2-yl-6-phenyl-2-[4-[4-[3-[2-[6-phenyl-2-[4-[4-[3-phenyl-5-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
CID 146343206
2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 155442926
4,6-diphenyl-2-(5-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyrimidine
CID 155442435
4-[4'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile;4-[4'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile
CID 159371573
4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
CID 160882389
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 158213395
2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442764

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine?
The IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine (CID 155443124) is 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine?
The canonical SMILES for 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine is C1=CC2c3ccccc3C3(c4ccccc4Oc4c(-c5ccc(-c6cc(-c7cccc(-c8cccc9c8-c8ccccc8C98c9ccccc9Oc9c(-c%10ccc(-c%11cc(-c%12ccccc%12-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10)cccc98)c7)nc(-c7ccccc7)n6)cc5)cccc43)C2C=C1.
What is the InChIKey of 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine?
The InChIKey is UUJURVFAOAYPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H64N4O2/c1-4-26-63(27-5-1)72-34-10-11-37-78(72)91-62-89(102-98(104-91)69-30-8-3-9-31-69)67-58-54-65(55-59-67)75-41-25-49-87-96(75)106-93-51-21-19-46-84(93)100(87)82-44-17-14-38-79(82)94-73(39-23-47-85(94)100)70-32-22-33-71(60-70)90-61-88(101-97(103-90)68-28-6-2-7-29-68)66-56-52-64(53-57-66)74-40-24-48-86-95(74)105-92-50-20-18-45-83(92)99(86)80-42-15-12-35-76(80)77-36-13-16-43-81(77)99/h1-62,76,80H.
What are the key properties of 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine?
2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine has a molecular weight of 1353.64 g/mol, XLogP of 24.68, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine is sourced from PubChem (CID 155443124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).