5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine

C55H36N2 — CID 153288485

IUPAC5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5cccnc5)c5ccccc5-6)nc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C55H36N2/c1-3-14-37(15-4-1)38-25-27-39(28-26-38)53-46-20-7-9-22-48(46)54(49-23-10-8-21-47(49)53)41-30-32-52(57-35-41)40-29-31-45-44-19-11-12-24-50(44)55(51(45)34-40,42-16-5-2-6-17-42)43-18-13-33-56-36-43/h1-36H
InChIKeyIUWMNVIWDHIHER-UHFFFAOYSA-N
MW724.91 g/mol
LogP13.81
Rot. Bonds6

About 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine

5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine (PubChem CID 153288485) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine
PubChem CID153288485
Molecular FormulaC55H36N2
Molecular Weight724.91 g/mol
Exact Mass724.29
IUPAC Name5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5cccnc5)c5ccccc5-6)nc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C55H36N2/c1-3-14-37(15-4-1)38-25-27-39(28-26-38)53-46-20-7-9-22-48(46)54(49-23-10-8-21-47(49)53)41-30-32-52(57-35-41)40-29-31-45-44-19-11-12-24-50(44)55(51(45)34-40,42-16-5-2-6-17-42)43-18-13-33-56-36-43/h1-36H
InChIKeyIUWMNVIWDHIHER-UHFFFAOYSA-N
XLogP13.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.91
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]
CID 134531002
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2-[4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]phenyl]pyridine;3-[4-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]phenyl]pyridine
CID 167697690
2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine
CID 90361787
5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine
CID 90361785
2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]
CID 147563141
2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 153288517
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
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730
10-phenyl-2'-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 148758865
3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116760
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

Frequently Asked Questions

What is the IUPAC name of 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine?
The IUPAC name of 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine (CID 153288485) is 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine.
What is the SMILES notation for 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine?
The canonical SMILES for 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5cccnc5)c5ccccc5-6)nc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine?
The InChIKey is IUWMNVIWDHIHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-3-14-37(15-4-1)38-25-27-39(28-26-38)53-46-20-7-9-22-48(46)54(49-23-10-8-21-47(49)53)41-30-32-52(57-35-41)40-29-31-45-44-19-11-12-24-50(44)55(51(45)34-40,42-16-5-2-6-17-42)43-18-13-33-56-36-43/h1-36H.
What are the key properties of 5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine?
5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine has a molecular weight of 724.91 g/mol, XLogP of 13.81, 6 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-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine is sourced from PubChem (CID 153288485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).