4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]

C56H39N3 — CID 129262825

IUPAC4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
SMILESCN1c2cccc3c2N(c2ccccc2C32c3ccccc3-c3c(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4)cccc32)C1c1ccccc1
InChIInChI=1S/C56H39N3/c1-58-52-30-16-28-48-54(52)59(55(58)41-21-9-4-10-22-41)51-29-14-13-26-46(51)56(48)45-25-12-11-23-44(45)53-43(24-15-27-47(53)56)38-33-31-37(32-34-38)42-35-49(39-17-5-2-6-18-39)57-50(36-42)40-19-7-3-8-20-40/h2-36,55H,1H3
InChIKeyAJGXGRGFZZPRBH-UHFFFAOYSA-N
MW753.95 g/mol
LogP13.71
Rot. Bonds5

About 4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]

4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] (PubChem CID 129262825) has the molecular formula C56H39N3 and a molecular weight of 753.95 g/mol. Its IUPAC name is 4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene].

Molecular Properties

Compound Name4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
PubChem CID129262825
Molecular FormulaC56H39N3
Molecular Weight753.95 g/mol
Exact Mass753.31
IUPAC Name4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
SMILESCN1c2cccc3c2N(c2ccccc2C32c3ccccc3-c3c(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4)cccc32)C1c1ccccc1
InChIInChI=1S/C56H39N3/c1-58-52-30-16-28-48-54(52)59(55(58)41-21-9-4-10-22-41)51-29-14-13-26-46(51)56(48)45-25-12-11-23-44(45)53-43(24-15-27-47(53)56)38-33-31-37(32-34-38)42-35-49(39-17-5-2-6-18-39)57-50(36-42)40-19-7-3-8-20-40/h2-36,55H,1H3
InChIKeyAJGXGRGFZZPRBH-UHFFFAOYSA-N
XLogP13.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] with MolForge

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Related Compounds

2,4-diphenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)pyridine
CID 153357783
10-phenyl-4'-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 146663709
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356706
2-[9,9-dimethyl-6'-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 153293196
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine
CID 146661203
2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 142480512
4-phenyl-2-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356492
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272127
15-phenyl-4'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
CID 129262694
CID 146661210
CID 146661210
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534

Frequently Asked Questions

What is the IUPAC name of 4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]?
The IUPAC name of 4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] (CID 129262825) is 4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene].
What is the SMILES notation for 4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]?
The canonical SMILES for 4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] is CN1c2cccc3c2N(c2ccccc2C32c3ccccc3-c3c(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4)cccc32)C1c1ccccc1.
What is the InChIKey of 4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]?
The InChIKey is AJGXGRGFZZPRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3/c1-58-52-30-16-28-48-54(52)59(55(58)41-21-9-4-10-22-41)51-29-14-13-26-46(51)56(48)45-25-12-11-23-44(45)53-43(24-15-27-47(53)56)38-33-31-37(32-34-38)42-35-49(39-17-5-2-6-18-39)57-50(36-42)40-19-7-3-8-20-40/h2-36,55H,1H3.
What are the key properties of 4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]?
4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] has a molecular weight of 753.95 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-14-methyl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene] is sourced from PubChem (CID 129262825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).