2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole

C48H32N6 — CID 129085645

IUPAC2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole
SMILESc1ccc(-c2cncc(-n3c(-c4ccccc4)c(-c4c(-c5ccccc5)n(-c5cncc(-c6ccccc6)n5)c5ccccc45)c4ccccc43)n2)cc1
InChIInChI=1S/C48H32N6/c1-5-17-33(18-6-1)39-29-49-31-43(51-39)53-41-27-15-13-25-37(41)45(47(53)35-21-9-3-10-22-35)46-38-26-14-16-28-42(38)54(48(46)36-23-11-4-12-24-36)44-32-50-30-40(52-44)34-19-7-2-8-20-34/h1-32H
InChIKeyVVTSJIJVPJBIIL-UHFFFAOYSA-N
MW692.83 g/mol
LogP11.49
Rot. Bonds7

About 2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole

2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole (PubChem CID 129085645) has the molecular formula C48H32N6 and a molecular weight of 692.83 g/mol. Its IUPAC name is 2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole.

Molecular Properties

Compound Name2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole
PubChem CID129085645
Molecular FormulaC48H32N6
Molecular Weight692.83 g/mol
Exact Mass692.27
IUPAC Name2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole
SMILESc1ccc(-c2cncc(-n3c(-c4ccccc4)c(-c4c(-c5ccccc5)n(-c5cncc(-c6ccccc6)n5)c5ccccc45)c4ccccc43)n2)cc1
InChIInChI=1S/C48H32N6/c1-5-17-33(18-6-1)39-29-49-31-43(51-39)53-41-27-15-13-25-37(41)45(47(53)35-21-9-3-10-22-35)46-38-26-14-16-28-42(38)54(48(46)36-23-11-4-12-24-36)44-32-50-30-40(52-44)34-19-7-2-8-20-34/h1-32H
InChIKeyVVTSJIJVPJBIIL-UHFFFAOYSA-N
XLogP11.49
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.83
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinoxaline
CID 129085638
2,3-diphenyl-1-pyrazin-2-ylindole
CID 53254157
3-(1,2-diphenylindol-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylindole;3-(1,2-diphenylindol-3-yl)-1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylindole;2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]-4-phenylquinazoline;2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline;1,2-diphenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]indole;1,2-diphenyl-3-[2-phenyl-1-[3-(6-phenyl-2-pyridinyl)phenyl]indol-3-yl]indole;1,2-diphenyl-3-[2-phenyl-1-(2-phenylpyrimidin-5-yl)indol-3-yl]indole;1,2-diphenyl-3-(2-phenyl-1-pyrimidin-5-ylindol-3-yl)indole
CID 161440100
9-[3-[1-(2,6-diphenylpyrimidin-4-yl)-3-phenylindol-2-yl]phenyl]carbazole
CID 121429747
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
2-[3-(1,2-diphenylindol-3-yl)-2-phenylindol-1-yl]quinazoline
CID 137395005
6-[6-(3,5-diphenylphenyl)pyrazin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285403
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
2-phenyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674681
9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480347
9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole
CID 59500751
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole?
The IUPAC name of 2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole (CID 129085645) is 2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole.
What is the SMILES notation for 2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole?
The canonical SMILES for 2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole is c1ccc(-c2cncc(-n3c(-c4ccccc4)c(-c4c(-c5ccccc5)n(-c5cncc(-c6ccccc6)n5)c5ccccc45)c4ccccc43)n2)cc1.
What is the InChIKey of 2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole?
The InChIKey is VVTSJIJVPJBIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6/c1-5-17-33(18-6-1)39-29-49-31-43(51-39)53-41-27-15-13-25-37(41)45(47(53)35-21-9-3-10-22-35)46-38-26-14-16-28-42(38)54(48(46)36-23-11-4-12-24-36)44-32-50-30-40(52-44)34-19-7-2-8-20-34/h1-32H.
What are the key properties of 2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole?
2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole has a molecular weight of 692.83 g/mol, XLogP of 11.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[2-phenyl-1-(6-phenylpyrazin-2-yl)indol-3-yl]-1-(6-phenylpyrazin-2-yl)indole is sourced from PubChem (CID 129085645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).