7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline

C48H31N5 — CID 145180348

IUPAC7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline
SMILESc1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)c2)cc(-c2c3ccccc3n3c2cnc2ccccc23)c1
InChIInChI=1S/C48H31N5/c1-3-10-45-41(8-1)48(47-31-51-42-9-2-4-11-46(42)53(45)47)39-7-5-6-38(28-39)40-29-43(36-16-12-32(13-17-36)34-20-24-49-25-21-34)52-44(30-40)37-18-14-33(15-19-37)35-22-26-50-27-23-35/h1-31H
InChIKeyOOSOFJIGVMJXMI-UHFFFAOYSA-N
MW677.81 g/mol
LogP11.83
Rot. Bonds6

About 7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline

7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline (PubChem CID 145180348) has the molecular formula C48H31N5 and a molecular weight of 677.81 g/mol. Its IUPAC name is 7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline
PubChem CID145180348
Molecular FormulaC48H31N5
Molecular Weight677.81 g/mol
Exact Mass677.26
IUPAC Name7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline
SMILESc1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)c2)cc(-c2c3ccccc3n3c2cnc2ccccc23)c1
InChIInChI=1S/C48H31N5/c1-3-10-45-41(8-1)48(47-31-51-42-9-2-4-11-46(42)53(45)47)39-7-5-6-38(28-39)40-29-43(36-16-12-32(13-17-36)34-20-24-49-25-21-34)52-44(30-40)37-18-14-33(15-19-37)35-22-26-50-27-23-35/h1-31H
InChIKeyOOSOFJIGVMJXMI-UHFFFAOYSA-N
XLogP11.83
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline with MolForge

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Related Compounds

7-[4-[4-(6-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180542
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 163966802
9-[4-[4-[3-[3-[4-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole;9-[4-[4-[3-[4-[4-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 157372045
3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine
CID 155792666
4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline
CID 118603197
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390
9-[4-[4-[3-[3-[3-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]-5-phenylphenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 58943378
6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline
CID 147418252
9-[4-[4-(3-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 59325997
2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 175141868

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline?
The IUPAC name of 7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline (CID 145180348) is 7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline?
The canonical SMILES for 7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline is c1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)c2)cc(-c2c3ccccc3n3c2cnc2ccccc23)c1.
What is the InChIKey of 7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline?
The InChIKey is OOSOFJIGVMJXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5/c1-3-10-45-41(8-1)48(47-31-51-42-9-2-4-11-46(42)53(45)47)39-7-5-6-38(28-39)40-29-43(36-16-12-32(13-17-36)34-20-24-49-25-21-34)52-44(30-40)37-18-14-33(15-19-37)35-22-26-50-27-23-35/h1-31H.
What are the key properties of 7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline?
7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline has a molecular weight of 677.81 g/mol, XLogP of 11.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline is sourced from PubChem (CID 145180348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).