3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole

C115H80N14O — CID 159448458

IUPAC3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3ccccc3)n2-c2ccc(-c3ccc(-n4c(-c5cccnc5)ccc4-c4cccnc4)cc3)cc2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3ccc(-n4c(-c5cccnc5)ccc4-c4cccnc4)cc3)cc2)cc1.c1cncc(-c2ccc(-c3cccnc3)n2-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)cc2)c1
InChIInChI=1S/C42H30N4.C40H28N6.C33H22N4O/c1-3-9-33(10-4-1)39-23-24-40(34-11-5-2-6-12-34)45(39)37-19-15-31(16-20-37)32-17-21-38(22-18-32)46-41(35-13-7-27-43-29-35)25-26-42(46)36-14-8-28-44-30-36;1-3-9-31(10-4-1)39-43-44-40(32-11-5-2-6-12-32)46(39)36-21-17-30(18-22-36)29-15-19-35(20-16-29)45-37(33-13-7-25-41-27-33)23-24-38(45)34-14-8-26-42-28-34;1-2-8-32-29(7-1)36-33(38-32)25-11-9-23(10-12-25)24-13-15-28(16-14-24)37-30(26-5-3-19-34-21-26)17-18-31(37)27-6-4-20-35-22-27/h1-30H;1-28H;1-22H
InChIKeyLTBGYMVFOZQAAL-UHFFFAOYSA-N
MW1674.00 g/mol
LogP27.65
Rot. Bonds19

About 3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole

3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole (PubChem CID 159448458) has the molecular formula C115H80N14O and a molecular weight of 1674.00 g/mol. Its IUPAC name is 3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole
PubChem CID159448458
Molecular FormulaC115H80N14O
Molecular Weight1674.00 g/mol
Exact Mass1672.66
IUPAC Name3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3ccccc3)n2-c2ccc(-c3ccc(-n4c(-c5cccnc5)ccc4-c4cccnc4)cc3)cc2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3ccc(-n4c(-c5cccnc5)ccc4-c4cccnc4)cc3)cc2)cc1.c1cncc(-c2ccc(-c3cccnc3)n2-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)cc2)c1
InChIInChI=1S/C42H30N4.C40H28N6.C33H22N4O/c1-3-9-33(10-4-1)39-23-24-40(34-11-5-2-6-12-34)45(39)37-19-15-31(16-20-37)32-17-21-38(22-18-32)46-41(35-13-7-27-43-29-35)25-26-42(46)36-14-8-28-44-30-36;1-3-9-31(10-4-1)39-43-44-40(32-11-5-2-6-12-32)46(39)36-21-17-30(18-22-36)29-15-19-35(20-16-29)45-37(33-13-7-25-41-27-33)23-24-38(45)34-14-8-26-42-28-34;1-2-8-32-29(7-1)36-33(38-32)25-11-9-23(10-12-25)24-13-15-28(16-14-24)37-30(26-5-3-19-34-21-26)17-18-31(37)27-6-4-20-35-22-27/h1-30H;1-28H;1-22H
InChIKeyLTBGYMVFOZQAAL-UHFFFAOYSA-N
XLogP27.65
TPSA153.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001674.00
LogP ≤ 527.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole with MolForge

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Related Compounds

2-[3-[4-[3-(4-Methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 58480069
2-[3-[4-[3,5-Bis[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 59439666
(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone
CID 160703973
[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 161320560
7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167665621
2-[11-[4-[5-[11-(1,3-Benzoxazol-2-yl)-12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-4-yl]-2-pyridinyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 169924683
2-[3-[4-[3-[3-Methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 162600746
3-[8-[6,9-Bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole
CID 57958229
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyrimidin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
CID 57958485
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyrimidin-4-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
CID 57958556
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyrimidin-5-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole
CID 57958605
2-[4-[4-(1-Cyclohexa-1,3-dien-1-ylpyrrol-2-yl)-6-(1-cyclohexa-1,5-dien-1-ylpyrrol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 70829950

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole (CID 159448458) is 3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole is c1ccc(-c2ccc(-c3ccccc3)n2-c2ccc(-c3ccc(-n4c(-c5cccnc5)ccc4-c4cccnc4)cc3)cc2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3ccc(-n4c(-c5cccnc5)ccc4-c4cccnc4)cc3)cc2)cc1.c1cncc(-c2ccc(-c3cccnc3)n2-c2ccc(-c3ccc(-c4nc5ccccc5o4)cc3)cc2)c1.
What is the InChIKey of 3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole?
The InChIKey is LTBGYMVFOZQAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4.C40H28N6.C33H22N4O/c1-3-9-33(10-4-1)39-23-24-40(34-11-5-2-6-12-34)45(39)37-19-15-31(16-20-37)32-17-21-38(22-18-32)46-41(35-13-7-27-43-29-35)25-26-42(46)36-14-8-28-44-30-36;1-3-9-31(10-4-1)39-43-44-40(32-11-5-2-6-12-32)46(39)36-21-17-30(18-22-36)29-15-19-35(20-16-29)45-37(33-13-7-25-41-27-33)23-24-38(45)34-14-8-26-42-28-34;1-2-8-32-29(7-1)36-33(38-32)25-11-9-23(10-12-25)24-13-15-28(16-14-24)37-30(26-5-3-19-34-21-26)17-18-31(37)27-6-4-20-35-22-27/h1-30H;1-28H;1-22H.
What are the key properties of 3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole?
3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 1674.00 g/mol, XLogP of 27.65, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[4-(2,5-diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 159448458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).