2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]

C54H33N3O — CID 162694547

IUPAC2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
SMILESc1ccc(-c2cc(-c3ccc4nc(-c5ccccc5)c5cc6c(cc5c4c3)C3(c4ccccc4O6)c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H33N3O/c1-4-16-34(17-5-1)48-33-49(57-53(56-48)36-20-8-3-9-21-36)37-28-29-47-41(30-37)40-31-46-51(32-42(40)52(55-47)35-18-6-2-7-19-35)58-50-27-15-14-26-45(50)54(46)43-24-12-10-22-38(43)39-23-11-13-25-44(39)54/h1-33H
InChIKeyBSGLEEFHWWFRNL-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.31
Rot. Bonds4

About 2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]

2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene] (PubChem CID 162694547) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene].

Molecular Properties

Compound Name2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
PubChem CID162694547
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
SMILESc1ccc(-c2cc(-c3ccc4nc(-c5ccccc5)c5cc6c(cc5c4c3)C3(c4ccccc4O6)c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H33N3O/c1-4-16-34(17-5-1)48-33-49(57-53(56-48)36-20-8-3-9-21-36)37-28-29-47-41(30-37)40-31-46-51(32-42(40)52(55-47)35-18-6-2-7-19-35)58-50-27-15-14-26-45(50)54(46)43-24-12-10-22-38(43)39-23-11-13-25-44(39)54/h1-33H
InChIKeyBSGLEEFHWWFRNL-UHFFFAOYSA-N
XLogP13.31
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 162694250
3-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 146613056
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 162694494
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene];6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 163631721
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]
CID 146613600
16-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]
CID 146615744
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 162694279
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]?
The IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene] (CID 162694547) is 2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene].
What is the SMILES notation for 2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]?
The canonical SMILES for 2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene] is c1ccc(-c2cc(-c3ccc4nc(-c5ccccc5)c5cc6c(cc5c4c3)C3(c4ccccc4O6)c4ccccc4-c4ccccc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]?
The InChIKey is BSGLEEFHWWFRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-4-16-34(17-5-1)48-33-49(57-53(56-48)36-20-8-3-9-21-36)37-28-29-47-41(30-37)40-31-46-51(32-42(40)52(55-47)35-18-6-2-7-19-35)58-50-27-15-14-26-45(50)54(46)43-24-12-10-22-38(43)39-23-11-13-25-44(39)54/h1-33H.
What are the key properties of 2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene]?
2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene] has a molecular weight of 739.88 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenylpyrimidin-4-yl)-6-phenylspiro[chromeno[2,3-j]phenanthridine-13,9'-fluorene] is sourced from PubChem (CID 162694547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).