2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol

C37H27N3O2 — CID 134234462

IUPAC2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol
SMILESOC1c2cccc(-n3c4ccccc4c4cccc(-c5ccncc5)c43)c2C(O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C37H27N3O2/c41-36-30-16-9-19-33(34(30)37(42)40(36)31-17-6-4-12-26(31)24-10-2-1-3-11-24)39-32-18-7-5-13-28(32)29-15-8-14-27(35(29)39)25-20-22-38-23-21-25/h1-23,36-37,41-42H
InChIKeyTXTZQYOUVFVQLM-UHFFFAOYSA-N
MW545.64 g/mol
LogP8.01
Rot. Bonds4

About 2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol

2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol (PubChem CID 134234462) has the molecular formula C37H27N3O2 and a molecular weight of 545.64 g/mol. Its IUPAC name is 2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol
PubChem CID134234462
Molecular FormulaC37H27N3O2
Molecular Weight545.64 g/mol
Exact Mass545.21
IUPAC Name2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol
SMILESOC1c2cccc(-n3c4ccccc4c4cccc(-c5ccncc5)c43)c2C(O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C37H27N3O2/c41-36-30-16-9-19-33(34(30)37(42)40(36)31-17-6-4-12-26(31)24-10-2-1-3-11-24)39-32-18-7-5-13-28(32)29-15-8-14-27(35(29)39)25-20-22-38-23-21-25/h1-23,36-37,41-42H
InChIKeyTXTZQYOUVFVQLM-UHFFFAOYSA-N
XLogP8.01
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.64
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol
CID 134234500
4-(1-phenylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 138566326
9-(4-phenyl-3-pyridinyl)carbazole
CID 145009934
7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134241006
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
4-(1,8-dipyridin-4-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(2-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(3-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 161343523
4-[1-(2-cyanophenyl)carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138565530
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986
triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane
CID 170515164
8,14-bis[2-(3,5-ditert-butylphenyl)phenyl]-5,17-bis(1-phenylcarbazol-9-yl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 177115209
9-[2-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 166037266

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol?
The IUPAC name of 2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol (CID 134234462) is 2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol.
What is the SMILES notation for 2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol?
The canonical SMILES for 2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol is OC1c2cccc(-n3c4ccccc4c4cccc(-c5ccncc5)c43)c2C(O)N1c1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol?
The InChIKey is TXTZQYOUVFVQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3O2/c41-36-30-16-9-19-33(34(30)37(42)40(36)31-17-6-4-12-26(31)24-10-2-1-3-11-24)39-32-18-7-5-13-28(32)29-15-8-14-27(35(29)39)25-20-22-38-23-21-25/h1-23,36-37,41-42H.
What are the key properties of 2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol?
2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol has a molecular weight of 545.64 g/mol, XLogP of 8.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol is sourced from PubChem (CID 134234462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).