2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole

C45H32N2O2 — CID 102187250

IUPAC2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole
SMILESc1ccc(Oc2ccccc2-c2ccc(C3(c4ccc(-c5ccccc5Oc5ccccc5)[nH]4)c4ccccc4-c4ccccc43)[nH]2)cc1
InChIInChI=1S/C45H32N2O2/c1-3-15-31(16-4-1)48-41-25-13-9-21-35(41)39-27-29-43(46-39)45(37-23-11-7-19-33(37)34-20-8-12-24-38(34)45)44-30-28-40(47-44)36-22-10-14-26-42(36)49-32-17-5-2-6-18-32/h1-30,46-47H
InChIKeyWZQOHJZYSGMXSV-UHFFFAOYSA-N
MW632.76 g/mol
LogP11.62
Rot. Bonds8

About 2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole

2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole (PubChem CID 102187250) has the molecular formula C45H32N2O2 and a molecular weight of 632.76 g/mol. Its IUPAC name is 2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole
PubChem CID102187250
Molecular FormulaC45H32N2O2
Molecular Weight632.76 g/mol
Exact Mass632.25
IUPAC Name2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole
SMILESc1ccc(Oc2ccccc2-c2ccc(C3(c4ccc(-c5ccccc5Oc5ccccc5)[nH]4)c4ccccc4-c4ccccc43)[nH]2)cc1
InChIInChI=1S/C45H32N2O2/c1-3-15-31(16-4-1)48-41-25-13-9-21-35(41)39-27-29-43(46-39)45(37-23-11-7-19-33(37)34-20-8-12-24-38(34)45)44-30-28-40(47-44)36-22-10-14-26-42(36)49-32-17-5-2-6-18-32/h1-30,46-47H
InChIKeyWZQOHJZYSGMXSV-UHFFFAOYSA-N
XLogP11.62
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.76
LogP ≤ 511.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-5-[9-(5-naphthalen-1-yl-1H-pyrrol-2-yl)fluoren-9-yl]-1H-pyrrole
CID 102187249
5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 146350301
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid
CID 69231179
5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione
CID 155147619
3-methyl-4-(2-phenoxyphenyl)pyrrole-2,5-dione
CID 68742063
1-fluoro-3-(2-phenoxyphenyl)benzene
CID 56979029
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
CID 11419749
4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
CID 87662305

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole?
The IUPAC name of 2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole (CID 102187250) is 2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole.
What is the SMILES notation for 2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole?
The canonical SMILES for 2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole is c1ccc(Oc2ccccc2-c2ccc(C3(c4ccc(-c5ccccc5Oc5ccccc5)[nH]4)c4ccccc4-c4ccccc43)[nH]2)cc1.
What is the InChIKey of 2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole?
The InChIKey is WZQOHJZYSGMXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2O2/c1-3-15-31(16-4-1)48-41-25-13-9-21-35(41)39-27-29-43(46-39)45(37-23-11-7-19-33(37)34-20-8-12-24-38(34)45)44-30-28-40(47-44)36-22-10-14-26-42(36)49-32-17-5-2-6-18-32/h1-30,46-47H.
What are the key properties of 2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole?
2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole has a molecular weight of 632.76 g/mol, XLogP of 11.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyphenyl)-5-[9-[5-(2-phenoxyphenyl)-1H-pyrrol-2-yl]fluoren-9-yl]-1H-pyrrole is sourced from PubChem (CID 102187250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).