7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one

C50H36N4O2 — CID 134241022

IUPAC7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCc1cnccc1-c1ccc2c3ccc(-c4ccncc4C)cc3n(-c3cccc4c3C(=O)N(c3cc(-c5ccccc5)ccc3-c3ccccc3)C4O)c2c1
InChIInChI=1S/C50H36N4O2/c1-31-29-51-24-22-38(31)36-17-20-41-42-21-18-37(39-23-25-52-30-32(39)2)28-47(42)53(46(41)27-36)44-15-9-14-43-48(44)50(56)54(49(43)55)45-26-35(33-10-5-3-6-11-33)16-19-40(45)34-12-7-4-8-13-34/h3-30,49,55H,1-2H3
InChIKeyHUELHDLJJJPXNX-UHFFFAOYSA-N
MW724.86 g/mol
LogP11.51
Rot. Bonds6

About 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one

7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one (PubChem CID 134241022) has the molecular formula C50H36N4O2 and a molecular weight of 724.86 g/mol. Its IUPAC name is 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
PubChem CID134241022
Molecular FormulaC50H36N4O2
Molecular Weight724.86 g/mol
Exact Mass724.28
IUPAC Name7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCc1cnccc1-c1ccc2c3ccc(-c4ccncc4C)cc3n(-c3cccc4c3C(=O)N(c3cc(-c5ccccc5)ccc3-c3ccccc3)C4O)c2c1
InChIInChI=1S/C50H36N4O2/c1-31-29-51-24-22-38(31)36-17-20-41-42-21-18-37(39-23-25-52-30-32(39)2)28-47(42)53(46(41)27-36)44-15-9-14-43-48(44)50(56)54(49(43)55)45-26-35(33-10-5-3-6-11-33)16-19-40(45)34-12-7-4-8-13-34/h3-30,49,55H,1-2H3
InChIKeyHUELHDLJJJPXNX-UHFFFAOYSA-N
XLogP11.51
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.86
LogP ≤ 511.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one (CID 134241022) is 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one is Cc1cnccc1-c1ccc2c3ccc(-c4ccncc4C)cc3n(-c3cccc4c3C(=O)N(c3cc(-c5ccccc5)ccc3-c3ccccc3)C4O)c2c1.
What is the InChIKey of 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
The InChIKey is HUELHDLJJJPXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4O2/c1-31-29-51-24-22-38(31)36-17-20-41-42-21-18-37(39-23-25-52-30-32(39)2)28-47(42)53(46(41)27-36)44-15-9-14-43-48(44)50(56)54(49(43)55)45-26-35(33-10-5-3-6-11-33)16-19-40(45)34-12-7-4-8-13-34/h3-30,49,55H,1-2H3.
What are the key properties of 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one?
7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one has a molecular weight of 724.86 g/mol, XLogP of 11.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 134241022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).