CID 146184431

C63H39N3O — CID 146184431

IUPAC—
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C63H39N3O/c1-2-19-42(20-3-1)59-64-60(66-61(65-59)48-26-16-21-40-18-4-5-22-44(40)48)43-38-36-41(37-39-43)45-25-17-34-56-58(45)67-57-35-15-14-33-55(57)63(56)53-31-12-10-29-51(53)62(52-30-11-13-32-54(52)63)49-27-8-6-23-46(49)47-24-7-9-28-50(47)62/h1-39H
InChIKeyAGZWGJSWECNFSR-UHFFFAOYSA-N
MW854.02 g/mol
LogP14.86
Rot. Bonds4

About CID 146184431

CID 146184431 (PubChem CID 146184431) has the molecular formula C63H39N3O and a molecular weight of 854.02 g/mol.

Molecular Properties

Compound NameCID 146184431
PubChem CID146184431
Molecular FormulaC63H39N3O
Molecular Weight854.02 g/mol
Exact Mass853.31
IUPAC Name—
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C63H39N3O/c1-2-19-42(20-3-1)59-64-60(66-61(65-59)48-26-16-21-40-18-4-5-22-44(40)48)43-38-36-41(37-39-43)45-25-17-34-56-58(45)67-57-35-15-14-33-55(57)63(56)53-31-12-10-29-51(53)62(52-30-11-13-32-54(52)63)49-27-8-6-23-46(49)47-24-7-9-28-50(47)62/h1-39H
InChIKeyAGZWGJSWECNFSR-UHFFFAOYSA-N
XLogP14.86
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.02
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
4-phenanthren-2-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 130379891
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
4-[4-[4-(9,9-diphenylxanthen-4-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazin-2-yl]benzonitrile
CID 166031429
2-[3-methyl-4-(2-methylphenyl)phenyl]-4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379362
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 160749645
2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine
CID 168855114
4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947149
2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 157349691
2-naphthalen-1-yl-4-phenyl-6-spiro[hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene-23,9'-xanthene]-3'-yl-1,3,5-triazine
CID 163697005
4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)benzonitrile
CID 155767812

Frequently Asked Questions

What is the IUPAC name of CID 146184431?
The IUPAC name of CID 146184431 (CID 146184431) is not available.
What is the SMILES notation for CID 146184431?
The canonical SMILES for CID 146184431 is c1ccc(-c2nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of CID 146184431?
The InChIKey is AGZWGJSWECNFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N3O/c1-2-19-42(20-3-1)59-64-60(66-61(65-59)48-26-16-21-40-18-4-5-22-44(40)48)43-38-36-41(37-39-43)45-25-17-34-56-58(45)67-57-35-15-14-33-55(57)63(56)53-31-12-10-29-51(53)62(52-30-11-13-32-54(52)63)49-27-8-6-23-46(49)47-24-7-9-28-50(47)62/h1-39H.
What are the key properties of CID 146184431?
CID 146184431 has a molecular weight of 854.02 g/mol, XLogP of 14.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146184431 is sourced from PubChem (CID 146184431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).