CID 146184467

C64H42N4S — CID 146184467

IUPAC—
SMILESc1ccc(C2=NC(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6Sc6ccccc65)c5ccccc54)cc3)N=C(c3cccc(-c4ccccn4)c3)N2)cc1
InChIInChI=1S/C64H42N4S/c1-2-18-42(19-3-1)60-66-61(68-62(67-60)45-21-16-20-44(40-45)56-32-14-15-39-65-56)43-37-35-41(36-38-43)46-23-17-31-55-59(46)47-22-4-5-24-48(47)63(55)49-25-6-8-27-51(49)64(52-28-9-7-26-50(52)63)53-29-10-12-33-57(53)69-58-34-13-11-30-54(58)64/h1-40,61H,(H,66,67,68)
InChIKeyDIDCWVWGZUODDD-UHFFFAOYSA-N
MW899.14 g/mol
LogP14.43
Rot. Bonds5

About CID 146184467

CID 146184467 (PubChem CID 146184467) has the molecular formula C64H42N4S and a molecular weight of 899.14 g/mol.

Molecular Properties

Compound NameCID 146184467
PubChem CID146184467
Molecular FormulaC64H42N4S
Molecular Weight899.14 g/mol
Exact Mass898.31
IUPAC Name—
SMILESc1ccc(C2=NC(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6Sc6ccccc65)c5ccccc54)cc3)N=C(c3cccc(-c4ccccn4)c3)N2)cc1
InChIInChI=1S/C64H42N4S/c1-2-18-42(19-3-1)60-66-61(68-62(67-60)45-21-16-20-44(40-45)56-32-14-15-39-65-56)43-37-35-41(36-38-43)46-23-17-31-55-59(46)47-22-4-5-24-48(47)63(55)49-25-6-8-27-51(49)64(52-28-9-7-26-50(52)63)53-29-10-12-33-57(53)69-58-34-13-11-30-54(58)64/h1-40,61H,(H,66,67,68)
InChIKeyDIDCWVWGZUODDD-UHFFFAOYSA-N
XLogP14.43
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.14
LogP ≤ 514.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
8-[7'-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline
CID 164793099
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142504632
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146632572
2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 146495104
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 153197016
4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 166995628
2-[3-[3-[9-[3-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]thioxanthen-9-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 123724746
2-phenyl-4-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 167178263
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 167177836
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931849
2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine;hydroiodide
CID 156734683

Frequently Asked Questions

What is the IUPAC name of CID 146184467?
The IUPAC name of CID 146184467 (CID 146184467) is not available.
What is the SMILES notation for CID 146184467?
The canonical SMILES for CID 146184467 is c1ccc(C2=NC(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6Sc6ccccc65)c5ccccc54)cc3)N=C(c3cccc(-c4ccccn4)c3)N2)cc1.
What is the InChIKey of CID 146184467?
The InChIKey is DIDCWVWGZUODDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4S/c1-2-18-42(19-3-1)60-66-61(68-62(67-60)45-21-16-20-44(40-45)56-32-14-15-39-65-56)43-37-35-41(36-38-43)46-23-17-31-55-59(46)47-22-4-5-24-48(47)63(55)49-25-6-8-27-51(49)64(52-28-9-7-26-50(52)63)53-29-10-12-33-57(53)69-58-34-13-11-30-54(58)64/h1-40,61H,(H,66,67,68).
What are the key properties of CID 146184467?
CID 146184467 has a molecular weight of 899.14 g/mol, XLogP of 14.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146184467 is sourced from PubChem (CID 146184467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).