5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine

C118H74N2 — CID 161017565

IUPAC5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)nc4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)nc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C62H39N.C56H35N/c1-2-14-40(15-3-1)41-28-32-44(33-29-41)60-51-19-4-6-21-53(51)61(54-22-7-5-20-52(54)60)46-35-37-59(63-39-46)43-30-26-42(27-31-43)45-34-36-50-49-18-10-13-25-57(49)62(58(50)38-45)55-23-11-8-16-47(55)48-17-9-12-24-56(48)62;1-2-15-36(16-3-1)37-29-31-38(32-30-37)53-42-19-4-6-21-44(42)54(45-22-7-5-20-43(45)53)39-33-34-52(57-35-39)47-24-14-28-51-55(47)46-23-10-13-27-50(46)56(51)48-25-11-8-17-40(48)41-18-9-12-26-49(41)56/h1-39H;1-35H
InChIKeyTXXRZKAEAPVMLT-UHFFFAOYSA-N
MW1519.90 g/mol
LogP30.47
Rot. Bonds9

About 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine

5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine (PubChem CID 161017565) has the molecular formula C118H74N2 and a molecular weight of 1519.90 g/mol. Its IUPAC name is 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine.

Molecular Properties

Compound Name5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine
PubChem CID161017565
Molecular FormulaC118H74N2
Molecular Weight1519.90 g/mol
Exact Mass1518.59
IUPAC Name5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)nc4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)nc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C62H39N.C56H35N/c1-2-14-40(15-3-1)41-28-32-44(33-29-41)60-51-19-4-6-21-53(51)61(54-22-7-5-20-52(54)60)46-35-37-59(63-39-46)43-30-26-42(27-31-43)45-34-36-50-49-18-10-13-25-57(49)62(58(50)38-45)55-23-11-8-16-47(55)48-17-9-12-24-56(48)62;1-2-15-36(16-3-1)37-29-31-38(32-30-37)53-42-19-4-6-21-44(42)54(45-22-7-5-20-43(45)53)39-33-34-52(57-35-39)47-24-14-28-51-55(47)46-23-10-13-27-50(46)56(51)48-25-11-8-17-40(48)41-18-9-12-26-49(41)56/h1-39H;1-35H
InChIKeyTXXRZKAEAPVMLT-UHFFFAOYSA-N
XLogP30.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001519.90
LogP ≤ 530.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine with MolForge

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Related Compounds

2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 153288517
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
2-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]
CID 134531002
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]
CID 147563141
10-phenyl-2'-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 148758865
10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 134531017
5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine
CID 153288485
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146633338
10-phenyl-2'-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]spiro[acridine-9,9'-fluorene];10-phenyl-3'-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 160895827
5-(9,9-dimethylfluoren-4-yl)-2-(10-phenylanthracen-9-yl)pyridine;5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(10-phenylanthracen-9-yl)pyridine;2-(10-phenylanthracen-9-yl)-5-(9,9'-spirobi[fluorene]-1'-yl)pyridine
CID 157482101
2-(9,9-dimethylfluoren-4-yl)-5-(10-phenylanthracen-9-yl)pyridine;ethane;prop-1-ene
CID 142353650

Frequently Asked Questions

What is the IUPAC name of 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine?
The IUPAC name of 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine (CID 161017565) is 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine.
What is the SMILES notation for 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine?
The canonical SMILES for 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)nc4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)nc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine?
The InChIKey is TXXRZKAEAPVMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N.C56H35N/c1-2-14-40(15-3-1)41-28-32-44(33-29-41)60-51-19-4-6-21-53(51)61(54-22-7-5-20-52(54)60)46-35-37-59(63-39-46)43-30-26-42(27-31-43)45-34-36-50-49-18-10-13-25-57(49)62(58(50)38-45)55-23-11-8-16-47(55)48-17-9-12-24-56(48)62;1-2-15-36(16-3-1)37-29-31-38(32-30-37)53-42-19-4-6-21-44(42)54(45-22-7-5-20-43(45)53)39-33-34-52(57-35-39)47-24-14-28-51-55(47)46-23-10-13-27-50(46)56(51)48-25-11-8-17-40(48)41-18-9-12-26-49(41)56/h1-39H;1-35H.
What are the key properties of 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine?
5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine has a molecular weight of 1519.90 g/mol, XLogP of 30.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9,9'-spirobi[fluorene]-4'-yl)pyridine is sourced from PubChem (CID 161017565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).