2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine

C171H107N7O4 — CID 158973947

IUPAC2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine
SMILES[C-]#[N+]c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-c2ccccc2-3)cc1.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-c3ccccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-c3ccccc3-4)nc3ccccc23)cc1.c1cncc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-c3ccccc3-4)cn2)c1
InChIInChI=1S/C47H30N2O.C45H28N2O.C41H26N2O.C38H23NO/c1-3-15-31(16-4-1)42-30-43(49-46(48-42)32-17-5-2-6-18-32)33-27-28-37-35-20-8-7-19-34(35)36-21-9-10-22-38(36)47(41(37)29-33)39-23-11-13-25-44(39)50-45-26-14-12-24-40(45)47;1-2-14-29(15-3-1)43-35-19-7-11-23-40(35)46-44(47-43)30-26-27-34-32-17-5-4-16-31(32)33-18-6-8-20-36(33)45(39(34)28-30)37-21-9-12-24-41(37)48-42-25-13-10-22-38(42)45;1-2-12-31-30(11-1)32-13-3-4-14-34(32)41(35-15-5-7-17-39(35)44-40-18-8-6-16-36(40)41)37-24-27(19-21-33(31)37)28-20-22-38(43-26-28)29-10-9-23-42-25-29;1-39-27-21-18-25(19-22-27)26-20-23-31-29-11-3-2-10-28(29)30-12-4-5-13-32(30)38(35(31)24-26)33-14-6-8-16-36(33)40-37-17-9-7-15-34(37)38/h1-30H;1-28H;1-26H;2-24H
InChIKeyJODNZHCBTQCCHL-UHFFFAOYSA-N
MW2323.78 g/mol
LogP42.70
Rot. Bonds8

About 2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine

2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine (PubChem CID 158973947) has the molecular formula C171H107N7O4 and a molecular weight of 2323.78 g/mol. Its IUPAC name is 2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine.

Molecular Properties

Compound Name2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine
PubChem CID158973947
Molecular FormulaC171H107N7O4
Molecular Weight2323.78 g/mol
Exact Mass2321.84
IUPAC Name2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine
SMILES[C-]#[N+]c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-c2ccccc2-3)cc1.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-c3ccccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-c3ccccc3-4)nc3ccccc23)cc1.c1cncc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-c3ccccc3-4)cn2)c1
InChIInChI=1S/C47H30N2O.C45H28N2O.C41H26N2O.C38H23NO/c1-3-15-31(16-4-1)42-30-43(49-46(48-42)32-17-5-2-6-18-32)33-27-28-37-35-20-8-7-19-34(35)36-21-9-10-22-38(36)47(41(37)29-33)39-23-11-13-25-44(39)50-45-26-14-12-24-40(45)47;1-2-14-29(15-3-1)43-35-19-7-11-23-40(35)46-44(47-43)30-26-27-34-32-17-5-4-16-31(32)33-18-6-8-20-36(33)45(39(34)28-30)37-21-9-12-24-41(37)48-42-25-13-10-22-38(42)45;1-2-12-31-30(11-1)32-13-3-4-14-34(32)41(35-15-5-7-17-39(35)44-40-18-8-6-16-36(40)41)37-24-27(19-21-33(31)37)28-20-22-38(43-26-28)29-10-9-23-42-25-29;1-39-27-21-18-25(19-22-27)26-20-23-31-29-11-3-2-10-28(29)30-12-4-5-13-32(30)38(35(31)24-26)33-14-6-8-16-36(33)40-37-17-9-7-15-34(37)38/h1-30H;1-28H;1-26H;2-24H
InChIKeyJODNZHCBTQCCHL-UHFFFAOYSA-N
XLogP42.70
TPSA118.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms182
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002323.78
LogP ≤ 542.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine 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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine?
The IUPAC name of 2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine (CID 158973947) is 2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine.
What is the SMILES notation for 2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine?
The canonical SMILES for 2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine is [C-]#[N+]c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-c2ccccc2-3)cc1.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-c3ccccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-c3ccccc3-4)nc3ccccc23)cc1.c1cncc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-c3ccccc3-4)cn2)c1.
What is the InChIKey of 2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine?
The InChIKey is JODNZHCBTQCCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O.C45H28N2O.C41H26N2O.C38H23NO/c1-3-15-31(16-4-1)42-30-43(49-46(48-42)32-17-5-2-6-18-32)33-27-28-37-35-20-8-7-19-34(35)36-21-9-10-22-38(36)47(41(37)29-33)39-23-11-13-25-44(39)50-45-26-14-12-24-40(45)47;1-2-14-29(15-3-1)43-35-19-7-11-23-40(35)46-44(47-43)30-26-27-34-32-17-5-4-16-31(32)33-18-6-8-20-36(33)45(39(34)28-30)37-21-9-12-24-41(37)48-42-25-13-10-22-38(42)45;1-2-12-31-30(11-1)32-13-3-4-14-34(32)41(35-15-5-7-17-39(35)44-40-18-8-6-16-36(40)41)37-24-27(19-21-33(31)37)28-20-22-38(43-26-28)29-10-9-23-42-25-29;1-39-27-21-18-25(19-22-27)26-20-23-31-29-11-3-2-10-28(29)30-12-4-5-13-32(30)38(35(31)24-26)33-14-6-8-16-36(33)40-37-17-9-7-15-34(37)38/h1-30H;1-28H;1-26H;2-24H.
What are the key properties of 2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine?
2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine has a molecular weight of 2323.78 g/mol, XLogP of 42.70, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-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-ylpyrimidine;11-(4-isocyanophenyl)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];4-phenyl-2-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-ylquinazoline;2-pyridin-3-yl-5-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-ylpyridine is sourced from PubChem (CID 158973947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).