CID 139521142

C59H37N3 — CID 139521142

IUPAC—
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C59H37N3/c1-3-18-38(19-4-1)40-22-17-23-41(36-40)56-60-55(39-20-5-2-6-21-39)61-57(62-56)42-34-35-53-54(37-42)59(49-30-13-9-26-45(49)46-27-10-14-31-50(46)59)52-33-16-15-32-51(52)58(53)47-28-11-7-24-43(47)44-25-8-12-29-48(44)58/h1-37H
InChIKeyJZMZTYPDWQOSLW-UHFFFAOYSA-N
MW787.97 g/mol
LogP13.58
Rot. Bonds4

About CID 139521142

CID 139521142 (PubChem CID 139521142) has the molecular formula C59H37N3 and a molecular weight of 787.97 g/mol.

Molecular Properties

Compound NameCID 139521142
PubChem CID139521142
Molecular FormulaC59H37N3
Molecular Weight787.97 g/mol
Exact Mass787.30
IUPAC Name—
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C59H37N3/c1-3-18-38(19-4-1)40-22-17-23-41(36-40)56-60-55(39-20-5-2-6-21-39)61-57(62-56)42-34-35-53-54(37-42)59(49-30-13-9-26-45(49)46-27-10-14-31-50(46)59)52-33-16-15-32-51(52)58(53)47-28-11-7-24-43(47)44-25-8-12-29-48(44)58/h1-37H
InChIKeyJZMZTYPDWQOSLW-UHFFFAOYSA-N
XLogP13.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.97
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 158278496
CID 158278496
CID 139521138
CID 139521138
2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-6-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230102
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
2-[3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166995942
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846

Frequently Asked Questions

What is the IUPAC name of CID 139521142?
The IUPAC name of CID 139521142 (CID 139521142) is not available.
What is the SMILES notation for CID 139521142?
The canonical SMILES for CID 139521142 is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.
What is the InChIKey of CID 139521142?
The InChIKey is JZMZTYPDWQOSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3/c1-3-18-38(19-4-1)40-22-17-23-41(36-40)56-60-55(39-20-5-2-6-21-39)61-57(62-56)42-34-35-53-54(37-42)59(49-30-13-9-26-45(49)46-27-10-14-31-50(46)59)52-33-16-15-32-51(52)58(53)47-28-11-7-24-43(47)44-25-8-12-29-48(44)58/h1-37H.
What are the key properties of CID 139521142?
CID 139521142 has a molecular weight of 787.97 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139521142 is sourced from PubChem (CID 139521142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).