CID 146184571

C65H39N3S — CID 146184571

IUPAC—
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C43c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C65H39N3S/c1-2-18-40(19-3-1)61-66-62(41-34-36-47-45-22-5-4-20-43(45)44-21-6-7-23-46(44)50(47)38-41)68-63(67-61)42-35-37-58-60(39-42)69-59-33-17-16-32-57(59)65(58)55-30-14-12-28-53(55)64(54-29-13-15-31-56(54)65)51-26-10-8-24-48(51)49-25-9-11-27-52(49)64/h1-39H
InChIKeyZWYSZYHIMFRNAS-UHFFFAOYSA-N
MW894.11 g/mol
LogP15.86
Rot. Bonds3

About CID 146184571

CID 146184571 (PubChem CID 146184571) has the molecular formula C65H39N3S and a molecular weight of 894.11 g/mol.

Molecular Properties

Compound NameCID 146184571
PubChem CID146184571
Molecular FormulaC65H39N3S
Molecular Weight894.11 g/mol
Exact Mass893.29
IUPAC Name—
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C43c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C65H39N3S/c1-2-18-40(19-3-1)61-66-62(41-34-36-47-45-22-5-4-20-43(45)44-21-6-7-23-46(44)50(47)38-41)68-63(67-61)42-35-37-58-60(39-42)69-59-33-17-16-32-57(59)65(58)55-30-14-12-28-53(55)64(54-29-13-15-31-56(54)65)51-26-10-8-24-48(51)49-25-9-11-27-52(49)64/h1-39H
InChIKeyZWYSZYHIMFRNAS-UHFFFAOYSA-N
XLogP15.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.11
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738043
2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 166737951
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 139307428
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 142469829
6'-phenyl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
CID 146613452
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine
CID 166738068
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 155767852
2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146327024
2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166737877
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-spiro[benzo[b]thioxanthene-12,9'-fluorene]-3-yl-1,3,5-triazine
CID 155054905
4,6-bis(4-phenylphenyl)-2-[6'-[3-[4-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
CID 166737876
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(2-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146326926

Frequently Asked Questions

What is the IUPAC name of CID 146184571?
The IUPAC name of CID 146184571 (CID 146184571) is not available.
What is the SMILES notation for CID 146184571?
The canonical SMILES for CID 146184571 is c1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C43c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.
What is the InChIKey of CID 146184571?
The InChIKey is ZWYSZYHIMFRNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N3S/c1-2-18-40(19-3-1)61-66-62(41-34-36-47-45-22-5-4-20-43(45)44-21-6-7-23-46(44)50(47)38-41)68-63(67-61)42-35-37-58-60(39-42)69-59-33-17-16-32-57(59)65(58)55-30-14-12-28-53(55)64(54-29-13-15-31-56(54)65)51-26-10-8-24-48(51)49-25-9-11-27-52(49)64/h1-39H.
What are the key properties of CID 146184571?
CID 146184571 has a molecular weight of 894.11 g/mol, XLogP of 15.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146184571 is sourced from PubChem (CID 146184571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).