2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline

C138H89N5 — CID 164980722

IUPAC2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C60H38N2.C40H26N2.C38H25N/c1-3-17-39(18-4-1)55-45-21-7-11-25-49(45)57(50-26-12-8-22-46(50)55)41-31-35-43(36-32-41)59-60(62-54-30-16-15-29-53(54)61-59)44-37-33-42(34-38-44)58-51-27-13-9-23-47(51)56(40-19-5-2-6-20-40)48-24-10-14-28-52(48)58;1-3-13-27(14-4-1)37-31-17-7-9-19-33(31)38(34-20-10-8-18-32(34)37)28-23-25-30(26-24-28)40-39(29-15-5-2-6-16-29)41-35-21-11-12-22-36(35)42-40;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39/h1-38H;1-26H;1-25H
InChIKeyFLECUPHPLKLSCX-UHFFFAOYSA-N
MW1817.26 g/mol
LogP37.27
Rot. Bonds13

About 2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline

2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline (PubChem CID 164980722) has the molecular formula C138H89N5 and a molecular weight of 1817.26 g/mol. Its IUPAC name is 2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline.

Molecular Properties

Compound Name2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
PubChem CID164980722
Molecular FormulaC138H89N5
Molecular Weight1817.26 g/mol
Exact Mass1815.71
IUPAC Name2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C60H38N2.C40H26N2.C38H25N/c1-3-17-39(18-4-1)55-45-21-7-11-25-49(45)57(50-26-12-8-22-46(50)55)41-31-35-43(36-32-41)59-60(62-54-30-16-15-29-53(54)61-59)44-37-33-42(34-38-44)58-51-27-13-9-23-47(51)56(40-19-5-2-6-20-40)48-24-10-14-28-52(48)58;1-3-13-27(14-4-1)37-31-17-7-9-19-33(31)38(34-20-10-8-18-32(34)37)28-23-25-30(26-24-28)40-39(29-15-5-2-6-16-29)41-35-21-11-12-22-36(35)42-40;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39/h1-38H;1-26H;1-25H
InChIKeyFLECUPHPLKLSCX-UHFFFAOYSA-N
XLogP37.27
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001817.26
LogP ≤ 537.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline with MolForge

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Related Compounds

9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole
CID 59702533
9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole
CID 59702564
9-[4-(3-bromoquinoxalin-2-yl)phenyl]carbazole
CID 121327158
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 155140501
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786
12-(4-phenylphenyl)-20-[3-(4-phenylphenyl)quinoxalin-2-yl]-12,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13(18),14,16-nonaene
CID 164807793
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline
CID 59259734
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenylquinoxalin-2-yl)naphthalen-1-amine
CID 59260010

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline?
The IUPAC name of 2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline (CID 164980722) is 2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline.
What is the SMILES notation for 2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline?
The canonical SMILES for 2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline is c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline?
The InChIKey is FLECUPHPLKLSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2.C40H26N2.C38H25N/c1-3-17-39(18-4-1)55-45-21-7-11-25-49(45)57(50-26-12-8-22-46(50)55)41-31-35-43(36-32-41)59-60(62-54-30-16-15-29-53(54)61-59)44-37-33-42(34-38-44)58-51-27-13-9-23-47(51)56(40-19-5-2-6-20-40)48-24-10-14-28-52(48)58;1-3-13-27(14-4-1)37-31-17-7-9-19-33(31)38(34-20-10-8-18-32(34)37)28-23-25-30(26-24-28)40-39(29-15-5-2-6-16-29)41-35-21-11-12-22-36(35)42-40;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39/h1-38H;1-26H;1-25H.
What are the key properties of 2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline?
2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline has a molecular weight of 1817.26 g/mol, XLogP of 37.27, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline is sourced from PubChem (CID 164980722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).