CID 146661210

C61H39N — CID 146661210

IUPAC—
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)n3)c2)cc1
InChIInChI=1S/C61H39N/c1-3-19-40(20-4-1)42-23-17-24-43(37-42)57-38-44(41-21-5-2-6-22-41)39-58(62-57)48-28-18-36-56-59(48)47-27-9-12-31-51(47)61(56)54-34-15-13-32-52(54)60(53-33-14-16-35-55(53)61)49-29-10-7-25-45(49)46-26-8-11-30-50(46)60/h1-39H
InChIKeyOTLWUVAPYSRAJB-UHFFFAOYSA-N
MW785.99 g/mol
LogP14.79
Rot. Bonds4

About CID 146661210

CID 146661210 (PubChem CID 146661210) has the molecular formula C61H39N and a molecular weight of 785.99 g/mol.

Molecular Properties

Compound NameCID 146661210
PubChem CID146661210
Molecular FormulaC61H39N
Molecular Weight785.99 g/mol
Exact Mass785.31
IUPAC Name—
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)n3)c2)cc1
InChIInChI=1S/C61H39N/c1-3-19-40(20-4-1)42-23-17-24-43(37-42)57-38-44(41-21-5-2-6-22-41)39-58(62-57)48-28-18-36-56-59(48)47-27-9-12-31-51(47)61(56)54-34-15-13-32-52(54)60(53-33-14-16-35-55(53)61)49-29-10-7-25-45(49)46-26-8-11-30-50(46)60/h1-39H
InChIKeyOTLWUVAPYSRAJB-UHFFFAOYSA-N
XLogP14.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.99
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-2-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356492
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine
CID 146661203
2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356706
2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine
CID 153287651
2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 142480512
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
2-[9,9-dimethyl-6'-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 153293196
10-phenyl-4'-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 146663709
2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272055
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272127
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine
CID 142356680

Frequently Asked Questions

What is the IUPAC name of CID 146661210?
The IUPAC name of CID 146661210 (CID 146661210) is not available.
What is the SMILES notation for CID 146661210?
The canonical SMILES for CID 146661210 is c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)n3)c2)cc1.
What is the InChIKey of CID 146661210?
The InChIKey is OTLWUVAPYSRAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N/c1-3-19-40(20-4-1)42-23-17-24-43(37-42)57-38-44(41-21-5-2-6-22-41)39-58(62-57)48-28-18-36-56-59(48)47-27-9-12-31-51(47)61(56)54-34-15-13-32-52(54)60(53-33-14-16-35-55(53)61)49-29-10-7-25-45(49)46-26-8-11-30-50(46)60/h1-39H.
What are the key properties of CID 146661210?
CID 146661210 has a molecular weight of 785.99 g/mol, XLogP of 14.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146661210 is sourced from PubChem (CID 146661210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).