5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline

C64H41N3 — CID 164771442

IUPAC5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline
SMILESc1ccc(-c2nc3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3nc2-c2ccc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C64H41N3/c1-4-19-43(20-5-1)61-62(44-38-36-42(37-39-44)58-48-26-10-12-28-50(48)59(45-21-18-40-65-41-45)51-29-13-11-27-49(51)58)67-63-53(32-17-35-57(63)66-61)52-31-16-34-56-60(52)54-30-14-15-33-55(54)64(56,46-22-6-2-7-23-46)47-24-8-3-9-25-47/h1-41H
InChIKeyFXLYHUMJRPYSRV-UHFFFAOYSA-N
MW852.05 g/mol
LogP16.03
Rot. Bonds7

About 5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline

5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline (PubChem CID 164771442) has the molecular formula C64H41N3 and a molecular weight of 852.05 g/mol. Its IUPAC name is 5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline.

Molecular Properties

Compound Name5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline
PubChem CID164771442
Molecular FormulaC64H41N3
Molecular Weight852.05 g/mol
Exact Mass851.33
IUPAC Name5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline
SMILESc1ccc(-c2nc3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3nc2-c2ccc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C64H41N3/c1-4-19-43(20-5-1)61-62(44-38-36-42(37-39-44)58-48-26-10-12-28-50(48)59(45-21-18-40-65-41-45)51-29-13-11-27-49(51)58)67-63-53(32-17-35-57(63)66-61)52-31-16-34-56-60(52)54-30-14-15-33-55(54)64(56,46-22-6-2-7-23-46)47-24-8-3-9-25-47/h1-41H
InChIKeyFXLYHUMJRPYSRV-UHFFFAOYSA-N
XLogP16.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.05
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine
CID 154995544
6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 155158462
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-3-phenylquinoxaline
CID 155465500
4-(9,9-diphenylfluoren-4-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146631900
5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine
CID 153288485
2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline
CID 164771476
2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline
CID 149393432
2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline
CID 164771483
2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine
CID 142385241
2-[3-(14,19-diphenyl-14-tetracyclo[13.3.1.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
CID 146413959
2-phenyl-3-[4-[2-[2-[2-phenyl-3-(4-pyridin-3-ylphenyl)-8-(9,9'-spirobi[fluorene]-2-yl)quinoxalin-5-yl]-9,9'-spirobi[fluorene]-4'-yl]-4-pyridinyl]phenyl]-5,8-bis(9,9'-spirobi[fluorene]-2-yl)quinoxaline
CID 163594141
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146632054

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline?
The IUPAC name of 5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline (CID 164771442) is 5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline.
What is the SMILES notation for 5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline?
The canonical SMILES for 5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline is c1ccc(-c2nc3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3nc2-c2ccc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline?
The InChIKey is FXLYHUMJRPYSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3/c1-4-19-43(20-5-1)61-62(44-38-36-42(37-39-44)58-48-26-10-12-28-50(48)59(45-21-18-40-65-41-45)51-29-13-11-27-49(51)58)67-63-53(32-17-35-57(63)66-61)52-31-16-34-56-60(52)54-30-14-15-33-55(54)64(56,46-22-6-2-7-23-46)47-24-8-3-9-25-47/h1-41H.
What are the key properties of 5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline?
5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline has a molecular weight of 852.05 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline is sourced from PubChem (CID 164771442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).