6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

C174H107N9O3 — CID 163501802

IUPAC6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5c6c(ccc45)C4(c5ccccc5O6)c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/2C60H37N3O.C54H33N3O/c1-3-16-38(17-4-1)42-20-15-21-43(36-42)54-37-53(62-59(63-54)41-18-5-2-6-19-41)39-30-32-40(33-31-39)57-47-34-35-51-58(56(47)46-24-9-13-28-52(46)61-57)64-55-29-14-12-27-50(55)60(51)48-25-10-7-22-44(48)45-23-8-11-26-49(45)60;1-3-15-38(16-4-1)39-27-29-40(30-28-39)53-37-54(63-59(62-53)43-17-5-2-6-18-43)41-31-33-42(34-32-41)57-47-35-36-51-58(56(47)46-21-9-13-25-52(46)61-57)64-55-26-14-12-24-50(55)60(51)48-22-10-7-19-44(48)45-20-8-11-23-49(45)60;1-3-15-34(16-4-1)47-33-48(57-53(56-47)37-17-5-2-6-18-37)35-27-29-36(30-28-35)51-41-31-32-45-52(50(41)40-21-9-13-25-46(40)55-51)58-49-26-14-12-24-44(49)54(45)42-22-10-7-19-38(42)39-20-8-11-23-43(39)54/h2*1-37H;1-33H
InChIKeyCVKFNIAJVLPZCZ-UHFFFAOYSA-N
MW2371.83 g/mol
LogP43.28
Rot. Bonds14

About 6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (PubChem CID 163501802) has the molecular formula C174H107N9O3 and a molecular weight of 2371.83 g/mol. Its IUPAC name is 6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

Molecular Properties

Compound Name6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
PubChem CID163501802
Molecular FormulaC174H107N9O3
Molecular Weight2371.83 g/mol
Exact Mass2369.85
IUPAC Name6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5c6c(ccc45)C4(c5ccccc5O6)c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/2C60H37N3O.C54H33N3O/c1-3-16-38(17-4-1)42-20-15-21-43(36-42)54-37-53(62-59(63-54)41-18-5-2-6-19-41)39-30-32-40(33-31-39)57-47-34-35-51-58(56(47)46-24-9-13-28-52(46)61-57)64-55-29-14-12-27-50(55)60(51)48-25-10-7-22-44(48)45-23-8-11-26-49(45)60;1-3-15-38(16-4-1)39-27-29-40(30-28-39)53-37-54(63-59(62-53)43-17-5-2-6-18-43)41-31-33-42(34-32-41)57-47-35-36-51-58(56(47)46-21-9-13-25-52(46)61-57)64-55-26-14-12-24-50(55)60(51)48-22-10-7-19-44(48)45-20-8-11-23-49(45)60;1-3-15-34(16-4-1)47-33-48(57-53(56-47)37-17-5-2-6-18-37)35-27-29-36(30-28-35)51-41-31-32-45-52(50(41)40-21-9-13-25-46(40)55-51)58-49-26-14-12-24-44(49)54(45)42-22-10-7-19-38(42)39-20-8-11-23-43(39)54/h2*1-37H;1-33H
InChIKeyCVKFNIAJVLPZCZ-UHFFFAOYSA-N
XLogP43.28
TPSA143.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002371.83
LogP ≤ 543.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] with MolForge

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Related Compounds

6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 163435686
6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 162694279
6-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 162694337
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 163490374
13-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 162694497
6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 162694633
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947301
6-phenyl-11-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 162694325
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388535
2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 140947259
6-phenyl-2-(4-triphenylen-2-ylphenyl)spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-(3-triphenylen-2-ylphenyl)spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene];6-(4-triphenylen-2-ylphenyl)spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 163588027

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?
The IUPAC name of 6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (CID 163501802) is 6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].
What is the SMILES notation for 6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?
The canonical SMILES for 6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5c6c(ccc45)C4(c5ccccc5O6)c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)cc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?
The InChIKey is CVKFNIAJVLPZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H37N3O.C54H33N3O/c1-3-16-38(17-4-1)42-20-15-21-43(36-42)54-37-53(62-59(63-54)41-18-5-2-6-19-41)39-30-32-40(33-31-39)57-47-34-35-51-58(56(47)46-24-9-13-28-52(46)61-57)64-55-29-14-12-27-50(55)60(51)48-25-10-7-22-44(48)45-23-8-11-26-49(45)60;1-3-15-38(16-4-1)39-27-29-40(30-28-39)53-37-54(63-59(62-53)43-17-5-2-6-18-43)41-31-33-42(34-32-41)57-47-35-36-51-58(56(47)46-21-9-13-25-52(46)61-57)64-55-26-14-12-24-50(55)60(51)48-22-10-7-19-44(48)45-20-8-11-23-49(45)60;1-3-15-34(16-4-1)47-33-48(57-53(56-47)37-17-5-2-6-18-37)35-27-29-36(30-28-35)51-41-31-32-45-52(50(41)40-21-9-13-25-46(40)55-51)58-49-26-14-12-24-44(49)54(45)42-22-10-7-19-38(42)39-20-8-11-23-43(39)54/h2*1-37H;1-33H.
What are the key properties of 6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] has a molecular weight of 2371.83 g/mol, XLogP of 43.28, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is sourced from PubChem (CID 163501802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).