6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline

C43H28N4 — CID 145180354

IUPAC6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc6ccccc6n6c5cc5ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C43H28N4/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)38-28-37(31-14-5-2-6-15-31)45-43(46-38)35-18-11-17-34(26-35)42-41-27-33-16-7-9-20-39(33)47(41)40-21-10-8-19-36(40)44-42/h1-28H
InChIKeyBDTNHTVXMAZEQO-UHFFFAOYSA-N
MW600.73 g/mol
LogP10.77
Rot. Bonds5

About 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline

6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline (PubChem CID 145180354) has the molecular formula C43H28N4 and a molecular weight of 600.73 g/mol. Its IUPAC name is 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline
PubChem CID145180354
Molecular FormulaC43H28N4
Molecular Weight600.73 g/mol
Exact Mass600.23
IUPAC Name6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc6ccccc6n6c5cc5ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C43H28N4/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)38-28-37(31-14-5-2-6-15-31)45-43(46-38)35-18-11-17-34(26-35)42-41-27-33-16-7-9-20-39(33)47(41)40-21-10-8-19-36(40)44-42/h1-28H
InChIKeyBDTNHTVXMAZEQO-UHFFFAOYSA-N
XLogP10.77
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.73
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline
CID 145180162
6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180375
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180197
6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180126
3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline
CID 164762547
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
3-[2-[3-(benzimidazolo[1,2-a]quinolin-3-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 167030704
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline?
The IUPAC name of 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline (CID 145180354) is 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline.
What is the SMILES notation for 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline?
The canonical SMILES for 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5nc6ccccc6n6c5cc5ccccc56)c4)n3)cc2)cc1.
What is the InChIKey of 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline?
The InChIKey is BDTNHTVXMAZEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)38-28-37(31-14-5-2-6-15-31)45-43(46-38)35-18-11-17-34(26-35)42-41-27-33-16-7-9-20-39(33)47(41)40-21-10-8-19-36(40)44-42/h1-28H.
What are the key properties of 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline?
6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline has a molecular weight of 600.73 g/mol, XLogP of 10.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline is sourced from PubChem (CID 145180354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).