2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol

C36H26N4O2 — CID 134234500

IUPAC2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol
SMILESOC1c2cccc(-n3c4ccccc4c4cccc(-c5cncnc5)c43)c2C(O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C36H26N4O2/c41-35-29-16-9-19-32(33(29)36(42)40(35)30-17-6-4-12-25(30)23-10-2-1-3-11-23)39-31-18-7-5-13-27(31)28-15-8-14-26(34(28)39)24-20-37-22-38-21-24/h1-22,35-36,41-42H
InChIKeyKKAPQUIBATVIFL-UHFFFAOYSA-N
MW546.63 g/mol
LogP7.41
Rot. Bonds4

About 2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol

2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol (PubChem CID 134234500) has the molecular formula C36H26N4O2 and a molecular weight of 546.63 g/mol. Its IUPAC name is 2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol
PubChem CID134234500
Molecular FormulaC36H26N4O2
Molecular Weight546.63 g/mol
Exact Mass546.21
IUPAC Name2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol
SMILESOC1c2cccc(-n3c4ccccc4c4cccc(-c5cncnc5)c43)c2C(O)N1c1ccccc1-c1ccccc1
InChIInChI=1S/C36H26N4O2/c41-35-29-16-9-19-32(33(29)36(42)40(35)30-17-6-4-12-25(30)23-10-2-1-3-11-23)39-31-18-7-5-13-27(31)28-15-8-14-26(34(28)39)24-20-37-22-38-21-24/h1-22,35-36,41-42H
InChIKeyKKAPQUIBATVIFL-UHFFFAOYSA-N
XLogP7.41
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol
CID 134234462
methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione
CID 142280546
4-[1,8-di(pyrimidin-5-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234505
9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole
CID 121286038
7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134241006
2-(2,6-diphenylphenyl)-4-[1,8-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134241105
triphenyl-[9-[1-phenyl-9-(2-phenylphenyl)carbazol-4-yl]carbazol-1-yl]silane
CID 170515164
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole
CID 130377342
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
9-(2-phenylphenyl)-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaene
CID 129299039
triphenyl-[9-[8-phenyl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170515756

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol?
The IUPAC name of 2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol (CID 134234500) is 2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol.
What is the SMILES notation for 2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol?
The canonical SMILES for 2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol is OC1c2cccc(-n3c4ccccc4c4cccc(-c5cncnc5)c43)c2C(O)N1c1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol?
The InChIKey is KKAPQUIBATVIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O2/c41-35-29-16-9-19-32(33(29)36(42)40(35)30-17-6-4-12-25(30)23-10-2-1-3-11-23)39-31-18-7-5-13-27(31)28-15-8-14-26(34(28)39)24-20-37-22-38-21-24/h1-22,35-36,41-42H.
What are the key properties of 2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol?
2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol has a molecular weight of 546.63 g/mol, XLogP of 7.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)-1,3-dihydroisoindole-1,3-diol is sourced from PubChem (CID 134234500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).