CID 146184521

C66H45N3O — CID 146184521

IUPAC—
SMILESNc1cccc(-c2cccc(C3=NC(c4ccccc4)NC(c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6C6(c7ccccc7Oc7ccccc76)c6ccccc65)cc4)=C3)c2)c1
InChIInChI=1S/C66H45N3O/c67-48-22-15-20-46(40-48)45-19-14-21-47(39-45)60-41-59(68-64(69-60)44-17-2-1-3-18-44)43-37-35-42(36-38-43)49-24-16-32-58-63(49)50-23-4-5-25-51(50)65(58)52-26-6-8-28-54(52)66(55-29-9-7-27-53(55)65)56-30-10-12-33-61(56)70-62-34-13-11-31-57(62)66/h1-41,64,68H,67H2
InChIKeyCGRDMOXNSWODDB-UHFFFAOYSA-N
MW896.11 g/mol
LogP14.90
Rot. Bonds5

About CID 146184521

CID 146184521 (PubChem CID 146184521) has the molecular formula C66H45N3O and a molecular weight of 896.11 g/mol.

Molecular Properties

Compound NameCID 146184521
PubChem CID146184521
Molecular FormulaC66H45N3O
Molecular Weight896.11 g/mol
Exact Mass895.36
IUPAC Name—
SMILESNc1cccc(-c2cccc(C3=NC(c4ccccc4)NC(c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6C6(c7ccccc7Oc7ccccc76)c6ccccc65)cc4)=C3)c2)c1
InChIInChI=1S/C66H45N3O/c67-48-22-15-20-46(40-48)45-19-14-21-47(39-45)60-41-59(68-64(69-60)44-17-2-1-3-18-44)43-37-35-42(36-38-43)49-24-16-32-58-63(49)50-23-4-5-25-51(50)65(58)52-26-6-8-28-54(52)66(55-29-9-7-27-53(55)65)56-30-10-12-33-61(56)70-62-34-13-11-31-57(62)66/h1-41,64,68H,67H2
InChIKeyCGRDMOXNSWODDB-UHFFFAOYSA-N
XLogP14.90
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.11
LogP ≤ 514.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
CID 137388504
4,6-diphenyl-2-(4-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]-18-ylphenyl)-1,2-dihydropyrimidine
CID 134305269
2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263708
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine
CID 138575916
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146321879
4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine
CID 155443287
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476230
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine
CID 130374602
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326904
4,6-diphenyl-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 129263547
4-phenyl-6-(2-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 148834800

Frequently Asked Questions

What is the IUPAC name of CID 146184521?
The IUPAC name of CID 146184521 (CID 146184521) is not available.
What is the SMILES notation for CID 146184521?
The canonical SMILES for CID 146184521 is Nc1cccc(-c2cccc(C3=NC(c4ccccc4)NC(c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6C6(c7ccccc7Oc7ccccc76)c6ccccc65)cc4)=C3)c2)c1.
What is the InChIKey of CID 146184521?
The InChIKey is CGRDMOXNSWODDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3O/c67-48-22-15-20-46(40-48)45-19-14-21-47(39-45)60-41-59(68-64(69-60)44-17-2-1-3-18-44)43-37-35-42(36-38-43)49-24-16-32-58-63(49)50-23-4-5-25-51(50)65(58)52-26-6-8-28-54(52)66(55-29-9-7-27-53(55)65)56-30-10-12-33-61(56)70-62-34-13-11-31-57(62)66/h1-41,64,68H,67H2.
What are the key properties of CID 146184521?
CID 146184521 has a molecular weight of 896.11 g/mol, XLogP of 14.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146184521 is sourced from PubChem (CID 146184521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).