1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline

C51H60N4 — CID 155705240

IUPAC1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline
SMILESC=CC1=C(C=C)N(C(C)(C)C)c2ccccc2N1c1ccc(C(C)(C)N2C(C=C)=C(C=C)N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccccc32)cc1
InChIInChI=1S/C51H60N4/c1-16-40-42(18-3)54(50(11,12)13)46-26-22-20-24-44(46)52(40)38-30-28-35(29-31-38)51(14,15)55-43(19-4)41(17-2)53(45-25-21-23-27-47(45)55)39-33-36(48(5,6)7)32-37(34-39)49(8,9)10/h16-34H,1-4H2,5-15H3
InChIKeyBTINMFPZJFDHQG-UHFFFAOYSA-N
MW729.07 g/mol
LogP14.10
Rot. Bonds8

About 1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline

1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline (PubChem CID 155705240) has the molecular formula C51H60N4 and a molecular weight of 729.07 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline.

Molecular Properties

Compound Name1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline
PubChem CID155705240
Molecular FormulaC51H60N4
Molecular Weight729.07 g/mol
Exact Mass728.48
IUPAC Name1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline
SMILESC=CC1=C(C=C)N(C(C)(C)C)c2ccccc2N1c1ccc(C(C)(C)N2C(C=C)=C(C=C)N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccccc32)cc1
InChIInChI=1S/C51H60N4/c1-16-40-42(18-3)54(50(11,12)13)46-26-22-20-24-44(46)52(40)38-30-28-35(29-31-38)51(14,15)55-43(19-4)41(17-2)53(45-25-21-23-27-47(45)55)39-33-36(48(5,6)7)32-37(34-39)49(8,9)10/h16-34H,1-4H2,5-15H3
InChIKeyBTINMFPZJFDHQG-UHFFFAOYSA-N
XLogP14.10
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.07
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline with MolForge

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Related Compounds

5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
2-ethenyl-1,4-diphenyl-3-[(Z)-prop-1-enyl]quinoxaline
CID 142288460
4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline
CID 155172772
10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 168782831
5-(4-tert-butylphenyl)-10-(9,9-dimethylfluoren-2-yl)phenazine
CID 168782836
5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine
CID 166052792
tert-butylbenzene;methanimine
CID 174908280
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane
CID 145383928
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine
CID 145125517
(3,5-ditert-butylphenyl)-triphenylboranuide
CID 140663046
4-tert-butyl-8-(3,5-ditert-butylphenyl)-11-methyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,11-ditert-butyl-8-(4-tert-butylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5,17-ditert-butyl-11-methyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,11-dimethyl-8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5,11-dimethyl-8-(4-methylphenyl)-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 159568832
3-tert-butyl-10-phenylphenothiazine
CID 134252291

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline?
The IUPAC name of 1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline (CID 155705240) is 1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline.
What is the SMILES notation for 1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline?
The canonical SMILES for 1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline is C=CC1=C(C=C)N(C(C)(C)C)c2ccccc2N1c1ccc(C(C)(C)N2C(C=C)=C(C=C)N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccccc32)cc1.
What is the InChIKey of 1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline?
The InChIKey is BTINMFPZJFDHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H60N4/c1-16-40-42(18-3)54(50(11,12)13)46-26-22-20-24-44(46)52(40)38-30-28-35(29-31-38)51(14,15)55-43(19-4)41(17-2)53(45-25-21-23-27-47(45)55)39-33-36(48(5,6)7)32-37(34-39)49(8,9)10/h16-34H,1-4H2,5-15H3.
What are the key properties of 1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline?
1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline has a molecular weight of 729.07 g/mol, XLogP of 14.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-[2-[4-(3,5-ditert-butylphenyl)-2,3-bis(ethenyl)quinoxalin-1-yl]propan-2-yl]phenyl]-2,3-bis(ethenyl)quinoxaline is sourced from PubChem (CID 155705240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).